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/1arj-85ff50bc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1arj-85ff50bc/inputs/seq.fa: 1
curr_seq: _GGCAGAUCUGAGCCUGGGAGCUCUCUGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGAUCUGAGCCUGGGAGCUCUCUGCC
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/1arj-85ff50bc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1arj-85ff50bc/inputs/seq.fa: 1
curr_seq: _GGCAGAUCUGAGCCUGGGAGCUCUCUGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGAUCUGAGCCUGGGAGCUCUCUGCC
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/1arj-85ff50bc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1arj-85ff50bc/inputs/seq.fa: 1
curr_seq: _GGCAGAUCUGAGCCUGGGAGCUCUCUGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGAUCUGAGCCUGGGAGCUCUCUGCC
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/1arj-85ff50bc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1arj-85ff50bc/inputs/seq.fa: 1
curr_seq: _GGCAGAUCUGAGCCUGGGAGCUCUCUGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGAUCUGAGCCUGGGAGCUCUCUGCC
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/1arj-85ff50bc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1arj-85ff50bc/inputs/seq.fa: 1
curr_seq: _GGCAGAUCUGAGCCUGGGAGCUCUCUGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGAUCUGAGCCUGGGAGCUCUCUGCC
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/1arj-85ff50bc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1arj-85ff50bc/inputs/seq.fa: 1
curr_seq: _GGCAGAUCUGAGCCUGGGAGCUCUCUGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGAUCUGAGCCUGGGAGCUCUCUGCC
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/1arj-85ff50bc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1arj-85ff50bc/inputs/seq.fa: 1
curr_seq: _GGCAGAUCUGAGCCUGGGAGCUCUCUGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGAUCUGAGCCUGGGAGCUCUCUGCC
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/1arj-85ff50bc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1arj-85ff50bc/inputs/seq.fa: 1
curr_seq: _GGCAGAUCUGAGCCUGGGAGCUCUCUGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGAUCUGAGCCUGGGAGCUCUCUGCC
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/1arj-85ff50bc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1arj-85ff50bc/inputs/seq.fa: 1
curr_seq: _GGCAGAUCUGAGCCUGGGAGCUCUCUGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGAUCUGAGCCUGGGAGCUCUCUGCC
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/1arj-85ff50bc/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1arj-85ff50bc/inputs/seq.fa: 1
curr_seq: _GGCAGAUCUGAGCCUGGGAGCUCUCUGCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCAGAUCUGAGCCUGGGAGCUCUCUGCC
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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: -110.714741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714741 (E_RNA)
where:
Base-Base interactions energy: -2.993
where: short stacking energy: -2.993
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -110.714741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714741 (E_RNA)
where:
Base-Base interactions energy: -2.993
where: short stacking energy: -2.993
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -110.714741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714741 (E_RNA)
where:
Base-Base interactions energy: -2.993
where: short stacking energy: -2.993
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -110.714741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714741 (E_RNA)
where:
Base-Base interactions energy: -2.993
where: short stacking energy: -2.993
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -110.714741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714741 (E_RNA)
where:
Base-Base interactions energy: -2.993
where: short stacking energy: -2.993
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -110.714741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714741 (E_RNA)
where:
Base-Base interactions energy: -2.993
where: short stacking energy: -2.993
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -110.714741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714741 (E_RNA)
where:
Base-Base interactions energy: -2.993
where: short stacking energy: -2.993
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -110.714741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714741 (E_RNA)
where:
Base-Base interactions energy: -2.993
where: short stacking energy: -2.993
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
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: 1
Temperature: 1.300000
Total energy: -110.714741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714741 (E_RNA)
where:
Base-Base interactions energy: -2.993
where: short stacking energy: -2.993
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -110.714741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714741 (E_RNA)
where:
Base-Base interactions energy: -2.993
where: short stacking energy: -2.993
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -184.480939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.480939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.480939 (E_RNA)
where:
Base-Base interactions energy: -95.848
where: short stacking energy: -73.381
Base-Backbone interact. energy: 0.514
local terms energy: -89.147250
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -158.210132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.210132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.210132 (E_RNA)
where:
Base-Base interactions energy: -63.627
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.126
local terms energy: -94.456968
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -16.675
tors. eta vs tors. theta energy: -12.202
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: 2
Temperature: 1.000000
Total energy: -170.941154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.941154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.941154 (E_RNA)
where:
Base-Base interactions energy: -100.967
where: short stacking energy: -53.075
Base-Backbone interact. energy: -1.058
local terms energy: -68.915809
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -16.926
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -156.770125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.770125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.770125 (E_RNA)
where:
Base-Base interactions energy: -70.969
where: short stacking energy: -70.969
Base-Backbone interact. energy: -0.020
local terms energy: -85.780523
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -15.512
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -156.696735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.696735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.696735 (E_RNA)
where:
Base-Base interactions energy: -74.143
where: short stacking energy: -61.799
Base-Backbone interact. energy: -0.118
local terms energy: -82.436078
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -126.806519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.806519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.806519 (E_RNA)
where:
Base-Base interactions energy: -50.803
where: short stacking energy: -38.870
Base-Backbone interact. energy: -0.159
local terms energy: -75.843823
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -159.992842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.992842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.992842 (E_RNA)
where:
Base-Base interactions energy: -96.358
where: short stacking energy: -58.324
Base-Backbone interact. energy: -0.043
local terms energy: -63.591087
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -116.181382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.181382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.181382 (E_RNA)
where:
Base-Base interactions energy: -40.597
where: short stacking energy: -40.504
Base-Backbone interact. energy: -0.380
local terms energy: -75.204554
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -134.570253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.570253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.570253 (E_RNA)
where:
Base-Base interactions energy: -54.377
where: short stacking energy: -51.134
Base-Backbone interact. energy: -0.108
local terms energy: -80.085330
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -15.005
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -111.632569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.632569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.632569 (E_RNA)
where:
Base-Base interactions energy: -4.150
where: short stacking energy: -4.150
Base-Backbone interact. energy: -0.000
local terms energy: -107.482117
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -26.600
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -24.292
tors. eta vs tors. theta energy: -7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -207.585907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.585907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.585907 (E_RNA)
where:
Base-Base interactions energy: -103.269
where: short stacking energy: -93.665
Base-Backbone interact. energy: -0.216
local terms energy: -104.101439
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -21.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -263.210613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.210613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.210613 (E_RNA)
where:
Base-Base interactions energy: -175.856
where: short stacking energy: -78.851
Base-Backbone interact. energy: -0.213
local terms energy: -87.142183
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -8.249
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: 3
Temperature: 1.000000
Total energy: -208.402070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.402070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.402070 (E_RNA)
where:
Base-Base interactions energy: -121.075
where: short stacking energy: -76.480
Base-Backbone interact. energy: -0.216
local terms energy: -87.111225
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -21.835
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -169.951559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.951559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.951559 (E_RNA)
where:
Base-Base interactions energy: -103.169
where: short stacking energy: -58.707
Base-Backbone interact. energy: -0.101
local terms energy: -66.681922
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -8.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -149.592051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.592051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.592051 (E_RNA)
where:
Base-Base interactions energy: -73.742
where: short stacking energy: -60.760
Base-Backbone interact. energy: -0.149
local terms energy: -75.700639
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -20.604
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -174.187587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.187587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.187587 (E_RNA)
where:
Base-Base interactions energy: -103.144
where: short stacking energy: -52.776
Base-Backbone interact. energy: -0.908
local terms energy: -70.135379
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -117.659253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.659253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.659253 (E_RNA)
where:
Base-Base interactions energy: -50.510
where: short stacking energy: -36.153
Base-Backbone interact. energy: -0.381
local terms energy: -66.768154
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -129.863421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.863421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.863421 (E_RNA)
where:
Base-Base interactions energy: -56.076
where: short stacking energy: -49.114
Base-Backbone interact. energy: -0.135
local terms energy: -73.653191
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -7.151
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: 3
Temperature: 1.300000
Total energy: -170.816361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.816361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.816361 (E_RNA)
where:
Base-Base interactions energy: -98.066
where: short stacking energy: -52.171
Base-Backbone interact. energy: -0.545
local terms energy: -72.205521
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -6.197
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -105.632966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.632966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.632966 (E_RNA)
where:
Base-Base interactions energy: -35.449
where: short stacking energy: -35.449
Base-Backbone interact. energy: -0.262
local terms energy: -69.922947
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -6.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -274.185946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.185946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.185946 (E_RNA)
where:
Base-Base interactions energy: -177.833
where: short stacking energy: -85.383
Base-Backbone interact. energy: -0.233
local terms energy: -96.120349
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -22.275
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -209.615115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.615115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.615115 (E_RNA)
where:
Base-Base interactions energy: -113.347
where: short stacking energy: -91.395
Base-Backbone interact. energy: -0.586
local terms energy: -95.681399
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -22.633
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -216.517574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.517574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.517574 (E_RNA)
where:
Base-Base interactions energy: -132.930
where: short stacking energy: -80.944
Base-Backbone interact. energy: 0.446
local terms energy: -84.034109
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -210.483699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.483699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.483699 (E_RNA)
where:
Base-Base interactions energy: -124.898
where: short stacking energy: -67.583
Base-Backbone interact. energy: -0.205
local terms energy: -85.380038
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -195.890315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.890315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.890315 (E_RNA)
where:
Base-Base interactions energy: -118.260
where: short stacking energy: -65.658
Base-Backbone interact. energy: -0.033
local terms energy: -77.596813
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -153.672842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.672842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.672842 (E_RNA)
where:
Base-Base interactions energy: -87.125
where: short stacking energy: -55.131
Base-Backbone interact. energy: -0.110
local terms energy: -66.438590
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -9.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -159.659063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.659063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.659063 (E_RNA)
where:
Base-Base interactions energy: -83.218
where: short stacking energy: -40.955
Base-Backbone interact. energy: -0.492
local terms energy: -75.948723
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -108.972820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.972820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.972820 (E_RNA)
where:
Base-Base interactions energy: -39.839
where: short stacking energy: -36.257
Base-Backbone interact. energy: -0.762
local terms energy: -68.371281
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -111.712310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.712310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.712310 (E_RNA)
where:
Base-Base interactions energy: -41.085
where: short stacking energy: -37.676
Base-Backbone interact. energy: -0.287
local terms energy: -70.340149
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -138.864629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.864629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.864629 (E_RNA)
where:
Base-Base interactions energy: -71.338
where: short stacking energy: -36.296
Base-Backbone interact. energy: -0.406
local terms energy: -67.120663
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: 2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -276.425708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.425708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.425708 (E_RNA)
where:
Base-Base interactions energy: -179.785
where: short stacking energy: -84.867
Base-Backbone interact. energy: 0.023
local terms energy: -96.662934
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -14.169
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: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -273.671017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.671017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.671017 (E_RNA)
where:
Base-Base interactions energy: -182.043
where: short stacking energy: -94.677
Base-Backbone interact. energy: -0.273
local terms energy: -91.354205
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -215.444392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.444392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.444392 (E_RNA)
where:
Base-Base interactions energy: -121.721
where: short stacking energy: -75.529
Base-Backbone interact. energy: -1.096
local terms energy: -92.627221
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -21.603
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: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -189.405772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.405772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.405772 (E_RNA)
where:
Base-Base interactions energy: -102.448
where: short stacking energy: -55.277
Base-Backbone interact. energy: -0.542
local terms energy: -86.416256
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -219.057765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.057765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.057765 (E_RNA)
where:
Base-Base interactions energy: -141.004
where: short stacking energy: -67.046
Base-Backbone interact. energy: -0.417
local terms energy: -77.637242
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -10.988
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: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -175.947024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.947024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.947024 (E_RNA)
where:
Base-Base interactions energy: -102.681
where: short stacking energy: -53.900
Base-Backbone interact. energy: -0.726
local terms energy: -72.540256
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -18.909
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -10.475
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: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -141.883925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.883925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.883925 (E_RNA)
where:
Base-Base interactions energy: -74.748
where: short stacking energy: -46.143
Base-Backbone interact. energy: -0.140
local terms energy: -66.996582
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -11.267
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: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -120.538464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.538464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.538464 (E_RNA)
where:
Base-Base interactions energy: -44.187
where: short stacking energy: -29.846
Base-Backbone interact. energy: -0.421
local terms energy: -75.930844
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -111.342574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.342574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.342574 (E_RNA)
where:
Base-Base interactions energy: -33.539
where: short stacking energy: -31.896
Base-Backbone interact. energy: -0.076
local terms energy: -77.728026
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -143.226694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.226694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.226694 (E_RNA)
where:
Base-Base interactions energy: -70.497
where: short stacking energy: -31.629
Base-Backbone interact. energy: -0.234
local terms energy: -72.495088
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -6.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -292.431836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.431836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.431836 (E_RNA)
where:
Base-Base interactions energy: -193.311
where: short stacking energy: -83.638
Base-Backbone interact. energy: -0.519
local terms energy: -98.601519
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -21.561
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -263.955736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.955736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.955736 (E_RNA)
where:
Base-Base interactions energy: -166.818
where: short stacking energy: -78.954
Base-Backbone interact. energy: -1.963
local terms energy: -95.174373
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -220.876370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.876370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.876370 (E_RNA)
where:
Base-Base interactions energy: -128.569
where: short stacking energy: -80.246
Base-Backbone interact. energy: -0.329
local terms energy: -91.978129
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -20.850
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: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -197.833791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.833791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.833791 (E_RNA)
where:
Base-Base interactions energy: -111.926
where: short stacking energy: -58.801
Base-Backbone interact. energy: -0.307
local terms energy: -85.600757
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -12.133
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: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -252.046016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.046016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.046016 (E_RNA)
where:
Base-Base interactions energy: -163.298
where: short stacking energy: -77.913
Base-Backbone interact. energy: -0.041
local terms energy: -88.706965
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -199.725825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.725825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.725825 (E_RNA)
where:
Base-Base interactions energy: -121.688
where: short stacking energy: -50.722
Base-Backbone interact. energy: -0.306
local terms energy: -77.731847
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -6.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -208.694044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.694044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.694044 (E_RNA)
where:
Base-Base interactions energy: -130.511
where: short stacking energy: -57.107
Base-Backbone interact. energy: -0.027
local terms energy: -78.155875
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -13.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -146.289138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.289138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.289138 (E_RNA)
where:
Base-Base interactions energy: -79.797
where: short stacking energy: -46.509
Base-Backbone interact. energy: 0.572
local terms energy: -67.064210
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -104.799404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.799404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.799404 (E_RNA)
where:
Base-Base interactions energy: -50.134
where: short stacking energy: -41.869
Base-Backbone interact. energy: -0.451
local terms energy: -54.214985
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: 0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -193.236526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.236526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.236526 (E_RNA)
where:
Base-Base interactions energy: -121.929
where: short stacking energy: -48.065
Base-Backbone interact. energy: 0.123
local terms energy: -71.430870
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -303.108052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.108052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.108052 (E_RNA)
where:
Base-Base interactions energy: -198.112
where: short stacking energy: -101.375
Base-Backbone interact. energy: -0.071
local terms energy: -104.925268
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -17.194
tors. eta vs tors. theta energy: -27.373
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: 7
Temperature: 0.950000
Total energy: -269.987653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.987653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.987653 (E_RNA)
where:
Base-Base interactions energy: -180.223
where: short stacking energy: -87.847
Base-Backbone interact. energy: -0.011
local terms energy: -89.753963
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -236.699606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.699606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.699606 (E_RNA)
where:
Base-Base interactions energy: -142.462
where: short stacking energy: -72.023
Base-Backbone interact. energy: -0.142
local terms energy: -94.095177
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -17.434
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: 7
Temperature: 1.050000
Total energy: -272.891049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.891049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.891049 (E_RNA)
where:
Base-Base interactions energy: -185.872
where: short stacking energy: -87.744
Base-Backbone interact. energy: -0.063
local terms energy: -86.955628
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -20.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -215.516506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.516506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.516506 (E_RNA)
where:
Base-Base interactions energy: -127.184
where: short stacking energy: -84.442
Base-Backbone interact. energy: -0.008
local terms energy: -88.323788
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -199.489524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.489524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.489524 (E_RNA)
where:
Base-Base interactions energy: -128.615
where: short stacking energy: -58.827
Base-Backbone interact. energy: -1.600
local terms energy: -69.274865
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -11.023
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: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -201.657167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.657167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.657167 (E_RNA)
where:
Base-Base interactions energy: -126.849
where: short stacking energy: -55.160
Base-Backbone interact. energy: -0.243
local terms energy: -74.565013
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -18.043
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -118.524402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.524402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.524402 (E_RNA)
where:
Base-Base interactions energy: -44.801
where: short stacking energy: -32.774
Base-Backbone interact. energy: -0.057
local terms energy: -73.666058
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -159.601153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.601153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.601153 (E_RNA)
where:
Base-Base interactions energy: -92.955
where: short stacking energy: -49.710
Base-Backbone interact. energy: 0.064
local terms energy: -66.709969
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -9.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -177.944320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.944320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.944320 (E_RNA)
where:
Base-Base interactions energy: -100.694
where: short stacking energy: -44.888
Base-Backbone interact. energy: -0.265
local terms energy: -76.985224
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -13.665
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: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -284.545094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.545094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.545094 (E_RNA)
where:
Base-Base interactions energy: -188.061
where: short stacking energy: -90.115
Base-Backbone interact. energy: -0.085
local terms energy: -96.399450
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -23.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -298.848992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.848992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.848992 (E_RNA)
where:
Base-Base interactions energy: -198.968
where: short stacking energy: -99.052
Base-Backbone interact. energy: -0.265
local terms energy: -99.616662
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -16.294
tors. eta vs tors. theta energy: -26.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -294.206630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.206630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.206630 (E_RNA)
where:
Base-Base interactions energy: -200.406
where: short stacking energy: -91.084
Base-Backbone interact. energy: -0.721
local terms energy: -93.078658
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -25.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -242.671850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.671850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.671850 (E_RNA)
where:
Base-Base interactions energy: -148.983
where: short stacking energy: -74.729
Base-Backbone interact. energy: 0.004
local terms energy: -93.692878
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -24.343
flat angles C4'-P-C4' energy: -25.132
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -186.488389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.488389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.488389 (E_RNA)
where:
Base-Base interactions energy: -105.923
where: short stacking energy: -56.499
Base-Backbone interact. energy: -0.241
local terms energy: -80.324271
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -12.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -199.915884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.915884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.915884 (E_RNA)
where:
Base-Base interactions energy: -116.442
where: short stacking energy: -64.935
Base-Backbone interact. energy: 0.178
local terms energy: -83.651701
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -215.631194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.631194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.631194 (E_RNA)
where:
Base-Base interactions energy: -150.450
where: short stacking energy: -62.698
Base-Backbone interact. energy: -1.192
local terms energy: -63.988904
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -6.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -161.366296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.366296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.366296 (E_RNA)
where:
Base-Base interactions energy: -92.724
where: short stacking energy: -50.218
Base-Backbone interact. energy: -0.159
local terms energy: -68.483391
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -7.159
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: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -172.625637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.625637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.625637 (E_RNA)
where:
Base-Base interactions energy: -100.287
where: short stacking energy: -52.816
Base-Backbone interact. energy: -0.647
local terms energy: -71.691491
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -142.498527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.498527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.498527 (E_RNA)
where:
Base-Base interactions energy: -80.042
where: short stacking energy: -46.804
Base-Backbone interact. energy: -0.009
local terms energy: -62.448013
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -3.534
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -290.034147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.034147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.034147 (E_RNA)
where:
Base-Base interactions energy: -184.134
where: short stacking energy: -85.419
Base-Backbone interact. energy: -0.275
local terms energy: -105.625008
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -23.794
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: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -284.951620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.951620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.951620 (E_RNA)
where:
Base-Base interactions energy: -195.095
where: short stacking energy: -94.770
Base-Backbone interact. energy: -0.084
local terms energy: -89.772709
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -23.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -292.536021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.536021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.536021 (E_RNA)
where:
Base-Base interactions energy: -190.845
where: short stacking energy: -102.152
Base-Backbone interact. energy: -0.665
local terms energy: -101.025976
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -29.457
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: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -269.237751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.237751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.237751 (E_RNA)
where:
Base-Base interactions energy: -186.171
where: short stacking energy: -91.980
Base-Backbone interact. energy: -1.249
local terms energy: -81.817621
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -16.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -195.840354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.840354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.840354 (E_RNA)
where:
Base-Base interactions energy: -114.719
where: short stacking energy: -64.732
Base-Backbone interact. energy: -0.810
local terms energy: -80.311667
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -232.225654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.225654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.225654 (E_RNA)
where:
Base-Base interactions energy: -148.054
where: short stacking energy: -63.556
Base-Backbone interact. energy: -0.146
local terms energy: -84.024980
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -11.356
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: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -189.997177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.997177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.997177 (E_RNA)
where:
Base-Base interactions energy: -110.954
where: short stacking energy: -60.984
Base-Backbone interact. energy: -0.092
local terms energy: -78.952061
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -11.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -167.231371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.231371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.231371 (E_RNA)
where:
Base-Base interactions energy: -88.086
where: short stacking energy: -48.686
Base-Backbone interact. energy: -0.280
local terms energy: -78.864933
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -22.843
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -13.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -216.934825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.934825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.934825 (E_RNA)
where:
Base-Base interactions energy: -141.801
where: short stacking energy: -54.240
Base-Backbone interact. energy: -0.251
local terms energy: -74.882232
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -16.905
tors. eta vs tors. theta energy: -10.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -107.864894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.864894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.864894 (E_RNA)
where:
Base-Base interactions energy: -42.130
where: short stacking energy: -42.130
Base-Backbone interact. energy: -0.231
local terms energy: -65.503852
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -5.952
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: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -284.826028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.826028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.826028 (E_RNA)
where:
Base-Base interactions energy: -190.776
where: short stacking energy: -79.864
Base-Backbone interact. energy: -0.357
local terms energy: -93.692776
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -23.101
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -15.088
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: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -282.823203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.823203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.823203 (E_RNA)
where:
Base-Base interactions energy: -184.574
where: short stacking energy: -86.962
Base-Backbone interact. energy: -0.190
local terms energy: -98.059939
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -25.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -306.993773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.993773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.993773 (E_RNA)
where:
Base-Base interactions energy: -203.974
where: short stacking energy: -87.085
Base-Backbone interact. energy: -0.791
local terms energy: -102.229308
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -18.145
tors. eta vs tors. theta energy: -22.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -280.905989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.905989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.905989 (E_RNA)
where:
Base-Base interactions energy: -188.345
where: short stacking energy: -79.006
Base-Backbone interact. energy: -0.067
local terms energy: -92.494506
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -18.306
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: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -228.931717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.931717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.931717 (E_RNA)
where:
Base-Base interactions energy: -149.837
where: short stacking energy: -57.471
Base-Backbone interact. energy: 0.035
local terms energy: -79.130119
where:
bonds (distance) C4'-P energy: -21.243
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -7.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -168.511451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.511451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.511451 (E_RNA)
where:
Base-Base interactions energy: -90.343
where: short stacking energy: -58.743
Base-Backbone interact. energy: -0.067
local terms energy: -78.100913
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -9.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -159.997191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.997191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.997191 (E_RNA)
where:
Base-Base interactions energy: -90.510
where: short stacking energy: -53.859
Base-Backbone interact. energy: -1.067
local terms energy: -68.420175
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -8.960
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: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -181.208879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.208879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.208879 (E_RNA)
where:
Base-Base interactions energy: -109.589
where: short stacking energy: -44.309
Base-Backbone interact. energy: -0.595
local terms energy: -71.024990
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -6.464
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: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -187.146273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.146273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.146273 (E_RNA)
where:
Base-Base interactions energy: -107.618
where: short stacking energy: -52.107
Base-Backbone interact. energy: -0.710
local terms energy: -78.818095
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -116.720815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.720815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.720815 (E_RNA)
where:
Base-Base interactions energy: -38.282
where: short stacking energy: -38.282
Base-Backbone interact. energy: -0.210
local terms energy: -78.229340
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -11.464
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: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -286.158100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.158100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.158100 (E_RNA)
where:
Base-Base interactions energy: -196.479
where: short stacking energy: -75.395
Base-Backbone interact. energy: -1.408
local terms energy: -88.271064
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -334.941949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.941949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.941949 (E_RNA)
where:
Base-Base interactions energy: -233.901
where: short stacking energy: -94.773
Base-Backbone interact. energy: -0.001
local terms energy: -101.040086
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -28.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -302.608648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.608648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.608648 (E_RNA)
where:
Base-Base interactions energy: -199.145
where: short stacking energy: -99.367
Base-Backbone interact. energy: -0.052
local terms energy: -103.412153
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -22.992
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -25.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -252.345486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.345486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.345486 (E_RNA)
where:
Base-Base interactions energy: -162.617
where: short stacking energy: -73.483
Base-Backbone interact. energy: -0.290
local terms energy: -89.437899
where:
bonds (distance) C4'-P energy: -21.818
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -11.979
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: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -240.214168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.214168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.214168 (E_RNA)
where:
Base-Base interactions energy: -158.734
where: short stacking energy: -71.569
Base-Backbone interact. energy: -0.294
local terms energy: -81.185661
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -13.201
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: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -172.030655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.030655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.030655 (E_RNA)
where:
Base-Base interactions energy: -93.608
where: short stacking energy: -49.537
Base-Backbone interact. energy: -0.089
local terms energy: -78.333919
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -11.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -157.671819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.671819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.671819 (E_RNA)
where:
Base-Base interactions energy: -79.991
where: short stacking energy: -39.548
Base-Backbone interact. energy: 0.712
local terms energy: -78.392890
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -206.506693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.506693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.506693 (E_RNA)
where:
Base-Base interactions energy: -128.743
where: short stacking energy: -66.919
Base-Backbone interact. energy: -0.088
local terms energy: -77.675659
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -179.743055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.743055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.743055 (E_RNA)
where:
Base-Base interactions energy: -110.117
where: short stacking energy: -57.133
Base-Backbone interact. energy: -0.543
local terms energy: -69.083346
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -121.794241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.794241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.794241 (E_RNA)
where:
Base-Base interactions energy: -61.518
where: short stacking energy: -56.635
Base-Backbone interact. energy: -0.031
local terms energy: -60.245100
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -8.907
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: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -353.461946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.461946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.461946 (E_RNA)
where:
Base-Base interactions energy: -250.755
where: short stacking energy: -98.766
Base-Backbone interact. energy: -0.258
local terms energy: -102.448780
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -27.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -288.472480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.472480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.472480 (E_RNA)
where:
Base-Base interactions energy: -198.053
where: short stacking energy: -86.725
Base-Backbone interact. energy: -0.179
local terms energy: -90.240797
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -12.932
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: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -318.208423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.208423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.208423 (E_RNA)
where:
Base-Base interactions energy: -214.609
where: short stacking energy: -90.478
Base-Backbone interact. energy: -0.033
local terms energy: -103.566899
where:
bonds (distance) C4'-P energy: -23.166
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -25.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -276.241523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.241523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.241523 (E_RNA)
where:
Base-Base interactions energy: -176.991
where: short stacking energy: -86.946
Base-Backbone interact. energy: -0.058
local terms energy: -99.193398
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -17.587
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -262.466117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.466117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.466117 (E_RNA)
where:
Base-Base interactions energy: -176.124
where: short stacking energy: -74.819
Base-Backbone interact. energy: 0.047
local terms energy: -86.389117
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -16.239
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: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -237.839549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.839549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.839549 (E_RNA)
where:
Base-Base interactions energy: -158.189
where: short stacking energy: -84.425
Base-Backbone interact. energy: -0.768
local terms energy: -78.883208
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -11.064
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: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -190.253672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.253672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.253672 (E_RNA)
where:
Base-Base interactions energy: -126.100
where: short stacking energy: -53.685
Base-Backbone interact. energy: -0.234
local terms energy: -63.920161
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -155.713401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.713401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.713401 (E_RNA)
where:
Base-Base interactions energy: -79.580
where: short stacking energy: -46.895
Base-Backbone interact. energy: -0.192
local terms energy: -75.941340
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -2.710
tors. eta vs tors. theta energy: -10.854
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: 12
Temperature: 1.300000
Total energy: -101.058214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.058214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.058214 (E_RNA)
where:
Base-Base interactions energy: -35.408
where: short stacking energy: -33.632
Base-Backbone interact. energy: 0.241
local terms energy: -65.891100
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: 1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -143.732383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.732383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.732383 (E_RNA)
where:
Base-Base interactions energy: -71.729
where: short stacking energy: -34.723
Base-Backbone interact. energy: -1.123
local terms energy: -70.880340
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -5.160
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: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -356.014860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.014860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.014860 (E_RNA)
where:
Base-Base interactions energy: -248.815
where: short stacking energy: -96.077
Base-Backbone interact. energy: -0.542
local terms energy: -106.658063
where:
bonds (distance) C4'-P energy: -21.836
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -17.592
tors. eta vs tors. theta energy: -28.414
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: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -319.805111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.805111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.805111 (E_RNA)
where:
Base-Base interactions energy: -217.422
where: short stacking energy: -105.327
Base-Backbone interact. energy: -0.006
local terms energy: -102.376902
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -30.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -267.209444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.209444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.209444 (E_RNA)
where:
Base-Base interactions energy: -168.472
where: short stacking energy: -73.129
Base-Backbone interact. energy: -0.284
local terms energy: -98.454094
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -19.642
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -13.648
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: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -266.284817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.284817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.284817 (E_RNA)
where:
Base-Base interactions energy: -176.414
where: short stacking energy: -76.176
Base-Backbone interact. energy: -1.280
local terms energy: -88.590992
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -19.695
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: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -249.502016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.502016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.502016 (E_RNA)
where:
Base-Base interactions energy: -162.812
where: short stacking energy: -69.629
Base-Backbone interact. energy: -0.271
local terms energy: -86.419999
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -22.029
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -16.157
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: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -244.552748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.552748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.552748 (E_RNA)
where:
Base-Base interactions energy: -153.699
where: short stacking energy: -71.239
Base-Backbone interact. energy: -0.097
local terms energy: -90.756450
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -20.089
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: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -190.450602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.450602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.450602 (E_RNA)
where:
Base-Base interactions energy: -115.042
where: short stacking energy: -42.616
Base-Backbone interact. energy: -0.169
local terms energy: -75.239959
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -161.858855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.858855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.858855 (E_RNA)
where:
Base-Base interactions energy: -96.347
where: short stacking energy: -35.664
Base-Backbone interact. energy: 0.099
local terms energy: -65.611459
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -112.347817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.347817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.347817 (E_RNA)
where:
Base-Base interactions energy: -44.033
where: short stacking energy: -36.743
Base-Backbone interact. energy: 2.087
local terms energy: -70.401974
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -114.360576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.360576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.360576 (E_RNA)
where:
Base-Base interactions energy: -42.076
where: short stacking energy: -29.684
Base-Backbone interact. energy: -0.177
local terms energy: -72.107249
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -12.726
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: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -355.484854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.484854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.484854 (E_RNA)
where:
Base-Base interactions energy: -252.236
where: short stacking energy: -93.043
Base-Backbone interact. energy: -0.133
local terms energy: -103.116112
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -21.054
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -25.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -322.006517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.006517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.006517 (E_RNA)
where:
Base-Base interactions energy: -226.989
where: short stacking energy: -86.805
Base-Backbone interact. energy: -0.140
local terms energy: -94.877627
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -23.779
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -266.747086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.747086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.747086 (E_RNA)
where:
Base-Base interactions energy: -176.188
where: short stacking energy: -80.002
Base-Backbone interact. energy: -0.301
local terms energy: -90.257697
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -273.043757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.043757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.043757 (E_RNA)
where:
Base-Base interactions energy: -187.332
where: short stacking energy: -76.350
Base-Backbone interact. energy: 0.574
local terms energy: -86.285445
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -18.488
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: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -254.843203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.843203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.843203 (E_RNA)
where:
Base-Base interactions energy: -159.635
where: short stacking energy: -78.489
Base-Backbone interact. energy: -0.444
local terms energy: -94.764436
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -20.576
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: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -231.002258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.002258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.002258 (E_RNA)
where:
Base-Base interactions energy: -145.628
where: short stacking energy: -79.323
Base-Backbone interact. energy: 0.494
local terms energy: -85.867754
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -198.978357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.978357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.978357 (E_RNA)
where:
Base-Base interactions energy: -123.162
where: short stacking energy: -56.641
Base-Backbone interact. energy: -0.105
local terms energy: -75.710966
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -5.048
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -152.731793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.731793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.731793 (E_RNA)
where:
Base-Base interactions energy: -86.532
where: short stacking energy: -33.842
Base-Backbone interact. energy: 0.755
local terms energy: -66.955142
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: 1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -120.354677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.354677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.354677 (E_RNA)
where:
Base-Base interactions energy: -50.979
where: short stacking energy: -48.926
Base-Backbone interact. energy: -0.551
local terms energy: -68.823887
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -8.857
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: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -100.618337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.618337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.618337 (E_RNA)
where:
Base-Base interactions energy: -29.514
where: short stacking energy: -20.658
Base-Backbone interact. energy: -0.833
local terms energy: -70.271543
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -18.881
flat angles C4'-P-C4' energy: -22.659
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -358.919949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.919949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.919949 (E_RNA)
where:
Base-Base interactions energy: -254.418
where: short stacking energy: -97.407
Base-Backbone interact. energy: -0.729
local terms energy: -103.773098
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -21.824
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -24.183
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: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -326.400991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.400991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.400991 (E_RNA)
where:
Base-Base interactions energy: -230.099
where: short stacking energy: -93.578
Base-Backbone interact. energy: -0.133
local terms energy: -96.168496
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -22.222
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -27.004
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: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -265.269069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.269069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.269069 (E_RNA)
where:
Base-Base interactions energy: -181.002
where: short stacking energy: -84.490
Base-Backbone interact. energy: -0.176
local terms energy: -84.090450
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -255.448499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.448499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.448499 (E_RNA)
where:
Base-Base interactions energy: -162.051
where: short stacking energy: -81.111
Base-Backbone interact. energy: -0.523
local terms energy: -92.873577
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -23.343
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -251.674396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.674396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.674396 (E_RNA)
where:
Base-Base interactions energy: -158.474
where: short stacking energy: -86.962
Base-Backbone interact. energy: 0.575
local terms energy: -93.775790
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -26.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -261.990795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.990795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.990795 (E_RNA)
where:
Base-Base interactions energy: -160.687
where: short stacking energy: -83.951
Base-Backbone interact. energy: -0.155
local terms energy: -101.149345
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -23.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -205.606458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.606458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.606458 (E_RNA)
where:
Base-Base interactions energy: -131.494
where: short stacking energy: -53.556
Base-Backbone interact. energy: -0.026
local terms energy: -74.086004
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -9.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -119.734637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.734637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.734637 (E_RNA)
where:
Base-Base interactions energy: -42.956
where: short stacking energy: -42.628
Base-Backbone interact. energy: -0.133
local terms energy: -76.645938
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -151.914804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.914804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.914804 (E_RNA)
where:
Base-Base interactions energy: -81.331
where: short stacking energy: -44.379
Base-Backbone interact. energy: 0.905
local terms energy: -71.488551
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -100.364712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.364712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.364712 (E_RNA)
where:
Base-Base interactions energy: -38.492
where: short stacking energy: -35.918
Base-Backbone interact. energy: -0.247
local terms energy: -61.625293
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -359.376221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.376221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.376221 (E_RNA)
where:
Base-Base interactions energy: -254.760
where: short stacking energy: -95.996
Base-Backbone interact. energy: -0.133
local terms energy: -104.483488
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -24.328
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: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -316.417730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.417730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.417730 (E_RNA)
where:
Base-Base interactions energy: -217.519
where: short stacking energy: -82.148
Base-Backbone interact. energy: -0.113
local terms energy: -98.785983
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -273.330020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.330020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.330020 (E_RNA)
where:
Base-Base interactions energy: -186.044
where: short stacking energy: -97.951
Base-Backbone interact. energy: 0.520
local terms energy: -87.805487
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -23.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -252.707916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.707916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.707916 (E_RNA)
where:
Base-Base interactions energy: -167.071
where: short stacking energy: -68.829
Base-Backbone interact. energy: -1.614
local terms energy: -84.022353
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -253.705142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.705142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.705142 (E_RNA)
where:
Base-Base interactions energy: -157.811
where: short stacking energy: -77.151
Base-Backbone interact. energy: -0.014
local terms energy: -95.879965
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -23.796
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: 6, replica: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -231.550592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.550592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.550592 (E_RNA)
where:
Base-Base interactions energy: -154.383
where: short stacking energy: -79.025
Base-Backbone interact. energy: -0.469
local terms energy: -76.699142
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -8.878
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: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -217.538005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.538005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.538005 (E_RNA)
where:
Base-Base interactions energy: -132.651
where: short stacking energy: -73.832
Base-Backbone interact. energy: -0.013
local terms energy: -84.874083
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -19.000
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: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -113.010316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.010316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.010316 (E_RNA)
where:
Base-Base interactions energy: -40.186
where: short stacking energy: -39.247
Base-Backbone interact. energy: -0.841
local terms energy: -71.983547
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -141.474951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.474951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.474951 (E_RNA)
where:
Base-Base interactions energy: -72.702
where: short stacking energy: -28.684
Base-Backbone interact. energy: -0.017
local terms energy: -68.755607
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -1.456
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: 10, replica: 4
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -103.452756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.452756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.452756 (E_RNA)
where:
Base-Base interactions energy: -39.998
where: short stacking energy: -32.953
Base-Backbone interact. energy: -0.164
local terms energy: -63.290346
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -359.281151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.281151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.281151 (E_RNA)
where:
Base-Base interactions energy: -250.538
where: short stacking energy: -95.573
Base-Backbone interact. energy: -0.110
local terms energy: -108.633765
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -23.944
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -26.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -314.855905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.855905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.855905 (E_RNA)
where:
Base-Base interactions energy: -217.160
where: short stacking energy: -91.342
Base-Backbone interact. energy: -0.377
local terms energy: -97.318831
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -23.123
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -24.637
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: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -273.237862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.237862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.237862 (E_RNA)
where:
Base-Base interactions energy: -170.477
where: short stacking energy: -86.881
Base-Backbone interact. energy: -0.661
local terms energy: -102.099867
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -21.814
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -24.947
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: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -256.920699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.920699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.920699 (E_RNA)
where:
Base-Base interactions energy: -161.168
where: short stacking energy: -88.273
Base-Backbone interact. energy: -0.163
local terms energy: -95.589043
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: -25.448
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: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -248.195469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.195469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.195469 (E_RNA)
where:
Base-Base interactions energy: -158.206
where: short stacking energy: -79.390
Base-Backbone interact. energy: -0.531
local terms energy: -89.458480
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -240.917673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.917673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.917673 (E_RNA)
where:
Base-Base interactions energy: -165.073
where: short stacking energy: -77.684
Base-Backbone interact. energy: -0.114
local terms energy: -75.730463
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -7.034
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: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -207.141211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.141211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.141211 (E_RNA)
where:
Base-Base interactions energy: -128.413
where: short stacking energy: -66.401
Base-Backbone interact. energy: 0.945
local terms energy: -79.672867
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -13.561
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: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -111.169718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.169718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.169718 (E_RNA)
where:
Base-Base interactions energy: -41.092
where: short stacking energy: -25.216
Base-Backbone interact. energy: 0.044
local terms energy: -70.121351
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: 0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -108.926552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.926552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.926552 (E_RNA)
where:
Base-Base interactions energy: -46.864
where: short stacking energy: -39.359
Base-Backbone interact. energy: -0.260
local terms energy: -61.803142
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -7.569
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: 4
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -103.740624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.740624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.740624 (E_RNA)
where:
Base-Base interactions energy: -43.481
where: short stacking energy: -29.466
Base-Backbone interact. energy: 0.512
local terms energy: -60.771525
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -357.562836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.562836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.562836 (E_RNA)
where:
Base-Base interactions energy: -252.990
where: short stacking energy: -92.779
Base-Backbone interact. energy: -0.191
local terms energy: -104.382371
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -24.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -330.759330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.759330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.759330 (E_RNA)
where:
Base-Base interactions energy: -230.991
where: short stacking energy: -104.278
Base-Backbone interact. energy: -0.009
local terms energy: -99.758986
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -29.770
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: 18
Temperature: 1.000000
Total energy: -262.698349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.698349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.698349 (E_RNA)
where:
Base-Base interactions energy: -165.677
where: short stacking energy: -94.149
Base-Backbone interact. energy: -0.312
local terms energy: -96.709999
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -261.005627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.005627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.005627 (E_RNA)
where:
Base-Base interactions energy: -168.689
where: short stacking energy: -81.445
Base-Backbone interact. energy: -0.131
local terms energy: -92.185824
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -21.238
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -21.673
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: 18
Temperature: 1.100000
Total energy: -221.359957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.359957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.359957 (E_RNA)
where:
Base-Base interactions energy: -134.621
where: short stacking energy: -66.540
Base-Backbone interact. energy: -0.142
local terms energy: -86.596989
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -12.782
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: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -235.694780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.694780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.694780 (E_RNA)
where:
Base-Base interactions energy: -155.757
where: short stacking energy: -75.869
Base-Backbone interact. energy: -0.190
local terms energy: -79.748692
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -13.320
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: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -209.175407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.175407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.175407 (E_RNA)
where:
Base-Base interactions energy: -126.132
where: short stacking energy: -68.148
Base-Backbone interact. energy: -0.627
local terms energy: -82.416720
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -16.873
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: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -120.148995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.148995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.148995 (E_RNA)
where:
Base-Base interactions energy: -59.121
where: short stacking energy: -42.704
Base-Backbone interact. energy: -0.299
local terms energy: -60.728732
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -129.127793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.127793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.127793 (E_RNA)
where:
Base-Base interactions energy: -46.454
where: short stacking energy: -38.644
Base-Backbone interact. energy: -0.516
local terms energy: -82.157794
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -21.676
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -7.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -99.853252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.853252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.853252 (E_RNA)
where:
Base-Base interactions energy: -25.558
where: short stacking energy: -21.826
Base-Backbone interact. energy: -0.303
local terms energy: -73.992540
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: 0.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -362.391977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.391977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.391977 (E_RNA)
where:
Base-Base interactions energy: -260.538
where: short stacking energy: -98.671
Base-Backbone interact. energy: -0.417
local terms energy: -101.436388
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -25.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -330.318373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.318373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.318373 (E_RNA)
where:
Base-Base interactions energy: -224.535
where: short stacking energy: -101.452
Base-Backbone interact. energy: -0.131
local terms energy: -105.652209
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -25.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -271.548617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.548617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.548617 (E_RNA)
where:
Base-Base interactions energy: -177.923
where: short stacking energy: -90.381
Base-Backbone interact. energy: -0.710
local terms energy: -92.915988
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -20.632
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -20.888
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: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -231.405410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.405410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.405410 (E_RNA)
where:
Base-Base interactions energy: -149.556
where: short stacking energy: -66.476
Base-Backbone interact. energy: 1.365
local terms energy: -83.213648
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -11.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -255.549191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.549191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.549191 (E_RNA)
where:
Base-Base interactions energy: -167.195
where: short stacking energy: -80.164
Base-Backbone interact. energy: -0.844
local terms energy: -87.510808
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -20.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -237.015473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.015473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.015473 (E_RNA)
where:
Base-Base interactions energy: -148.445
where: short stacking energy: -82.680
Base-Backbone interact. energy: -0.317
local terms energy: -88.253200
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -212.335987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.335987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.335987 (E_RNA)
where:
Base-Base interactions energy: -130.060
where: short stacking energy: -68.650
Base-Backbone interact. energy: -0.729
local terms energy: -81.547467
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -102.429327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.429327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.429327 (E_RNA)
where:
Base-Base interactions energy: -41.093
where: short stacking energy: -35.956
Base-Backbone interact. energy: -0.837
local terms energy: -60.499433
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: 0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -123.489088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.489088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.489088 (E_RNA)
where:
Base-Base interactions energy: -57.928
where: short stacking energy: -53.871
Base-Backbone interact. energy: 0.912
local terms energy: -66.472972
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -12.184
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: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -97.561799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.561799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.561799 (E_RNA)
where:
Base-Base interactions energy: -32.639
where: short stacking energy: -30.230
Base-Backbone interact. energy: 0.514
local terms energy: -65.436601
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -0.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -364.022435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.022435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.022435 (E_RNA)
where:
Base-Base interactions energy: -261.233
where: short stacking energy: -94.671
Base-Backbone interact. energy: -0.588
local terms energy: -102.201581
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -23.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -321.121521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.121521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.121521 (E_RNA)
where:
Base-Base interactions energy: -219.725
where: short stacking energy: -97.697
Base-Backbone interact. energy: -0.039
local terms energy: -101.357564
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -287.698922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.698922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.698922 (E_RNA)
where:
Base-Base interactions energy: -195.888
where: short stacking energy: -87.148
Base-Backbone interact. energy: 0.396
local terms energy: -92.206547
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -247.230681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.230681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.230681 (E_RNA)
where:
Base-Base interactions energy: -163.526
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.062
local terms energy: -83.643181
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: -19.967
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: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -261.563221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.563221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.563221 (E_RNA)
where:
Base-Base interactions energy: -167.040
where: short stacking energy: -89.061
Base-Backbone interact. energy: -0.069
local terms energy: -94.453572
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -26.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -242.260225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.260225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.260225 (E_RNA)
where:
Base-Base interactions energy: -163.230
where: short stacking energy: -71.972
Base-Backbone interact. energy: -0.159
local terms energy: -78.871726
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -18.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -210.017783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.017783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.017783 (E_RNA)
where:
Base-Base interactions energy: -126.677
where: short stacking energy: -62.480
Base-Backbone interact. energy: 0.186
local terms energy: -83.527029
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -11.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -129.685468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.685468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.685468 (E_RNA)
where:
Base-Base interactions energy: -63.488
where: short stacking energy: -43.707
Base-Backbone interact. energy: -0.279
local terms energy: -65.918396
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -115.503013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.503013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.503013 (E_RNA)
where:
Base-Base interactions energy: -41.979
where: short stacking energy: -42.065
Base-Backbone interact. energy: -0.338
local terms energy: -73.185682
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -114.260534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.260534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.260534 (E_RNA)
where:
Base-Base interactions energy: -49.789
where: short stacking energy: -40.377
Base-Backbone interact. energy: -0.164
local terms energy: -64.307643
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -352.806511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.806511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.806511 (E_RNA)
where:
Base-Base interactions energy: -253.283
where: short stacking energy: -91.812
Base-Backbone interact. energy: -0.359
local terms energy: -99.165490
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -18.130
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: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -286.654479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.654479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.654479 (E_RNA)
where:
Base-Base interactions energy: -191.575
where: short stacking energy: -89.072
Base-Backbone interact. energy: -1.017
local terms energy: -94.062467
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -319.681741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.681741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.681741 (E_RNA)
where:
Base-Base interactions energy: -214.384
where: short stacking energy: -98.437
Base-Backbone interact. energy: -0.010
local terms energy: -105.287210
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -28.025
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: 4, replica: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -260.465911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.465911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.465911 (E_RNA)
where:
Base-Base interactions energy: -166.907
where: short stacking energy: -85.174
Base-Backbone interact. energy: -0.189
local terms energy: -93.369646
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -23.801
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: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -225.134960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.134960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.134960 (E_RNA)
where:
Base-Base interactions energy: -146.261
where: short stacking energy: -74.544
Base-Backbone interact. energy: -0.100
local terms energy: -78.773448
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -18.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -223.407156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.407156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.407156 (E_RNA)
where:
Base-Base interactions energy: -138.369
where: short stacking energy: -70.249
Base-Backbone interact. energy: -0.580
local terms energy: -84.458475
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -11.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -232.069193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.069193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.069193 (E_RNA)
where:
Base-Base interactions energy: -139.146
where: short stacking energy: -58.900
Base-Backbone interact. energy: -0.398
local terms energy: -92.524727
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -103.060220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.060220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.060220 (E_RNA)
where:
Base-Base interactions energy: -41.817
where: short stacking energy: -36.477
Base-Backbone interact. energy: -0.285
local terms energy: -60.958254
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -127.765467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.765467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.765467 (E_RNA)
where:
Base-Base interactions energy: -69.205
where: short stacking energy: -34.171
Base-Backbone interact. energy: 0.421
local terms energy: -58.981822
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -103.866519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.866519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.866519 (E_RNA)
where:
Base-Base interactions energy: -35.717
where: short stacking energy: -20.495
Base-Backbone interact. energy: -0.415
local terms energy: -67.734678
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -15.137
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: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -359.828235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.828235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.828235 (E_RNA)
where:
Base-Base interactions energy: -257.199
where: short stacking energy: -92.709
Base-Backbone interact. energy: -0.112
local terms energy: -102.517426
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -21.823
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: -22.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -285.148566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.148566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.148566 (E_RNA)
where:
Base-Base interactions energy: -195.760
where: short stacking energy: -90.287
Base-Backbone interact. energy: -0.107
local terms energy: -89.282105
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -23.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -322.666654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.666654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.666654 (E_RNA)
where:
Base-Base interactions energy: -218.502
where: short stacking energy: -101.587
Base-Backbone interact. energy: -0.106
local terms energy: -104.058548
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -25.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -269.305808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.305808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.305808 (E_RNA)
where:
Base-Base interactions energy: -174.189
where: short stacking energy: -77.244
Base-Backbone interact. energy: -0.302
local terms energy: -94.815759
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -21.362
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -251.544848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.544848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.544848 (E_RNA)
where:
Base-Base interactions energy: -163.135
where: short stacking energy: -86.403
Base-Backbone interact. energy: -1.573
local terms energy: -86.836239
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -215.203543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.203543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.203543 (E_RNA)
where:
Base-Base interactions energy: -133.820
where: short stacking energy: -67.249
Base-Backbone interact. energy: -1.373
local terms energy: -80.010674
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -11.241
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: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -223.920036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.920036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.920036 (E_RNA)
where:
Base-Base interactions energy: -142.885
where: short stacking energy: -68.869
Base-Backbone interact. energy: -0.835
local terms energy: -80.199504
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -14.578
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: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -133.605454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.605454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.605454 (E_RNA)
where:
Base-Base interactions energy: -56.135
where: short stacking energy: -42.671
Base-Backbone interact. energy: -0.536
local terms energy: -76.934571
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -104.062233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.062233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.062233 (E_RNA)
where:
Base-Base interactions energy: -51.716
where: short stacking energy: -25.620
Base-Backbone interact. energy: 0.046
local terms energy: -52.392352
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: 5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -110.987874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.987874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.987874 (E_RNA)
where:
Base-Base interactions energy: -47.773
where: short stacking energy: -42.086
Base-Backbone interact. energy: -1.716
local terms energy: -61.499150
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -1.968
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -357.679432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.679432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.679432 (E_RNA)
where:
Base-Base interactions energy: -253.291
where: short stacking energy: -90.393
Base-Backbone interact. energy: -0.445
local terms energy: -103.943247
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -25.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -329.105376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.105376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.105376 (E_RNA)
where:
Base-Base interactions energy: -222.654
where: short stacking energy: -102.040
Base-Backbone interact. energy: -0.010
local terms energy: -106.441511
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -28.759
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: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -279.154923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.154923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.154923 (E_RNA)
where:
Base-Base interactions energy: -181.283
where: short stacking energy: -91.399
Base-Backbone interact. energy: -0.128
local terms energy: -97.743402
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -24.974
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: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -258.934171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.934171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.934171 (E_RNA)
where:
Base-Base interactions energy: -165.217
where: short stacking energy: -82.353
Base-Backbone interact. energy: -0.597
local terms energy: -93.120553
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -251.879210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.879210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.879210 (E_RNA)
where:
Base-Base interactions energy: -177.142
where: short stacking energy: -79.583
Base-Backbone interact. energy: -0.131
local terms energy: -74.606402
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -17.290
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: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -219.973634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.973634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.973634 (E_RNA)
where:
Base-Base interactions energy: -130.299
where: short stacking energy: -72.110
Base-Backbone interact. energy: -0.967
local terms energy: -88.707040
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -17.059
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: 23
Temperature: 1.200000
Total energy: -227.386731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.386731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.386731 (E_RNA)
where:
Base-Base interactions energy: -148.170
where: short stacking energy: -61.808
Base-Backbone interact. energy: -0.263
local terms energy: -78.952854
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -22.538
flat angles P-C4'-P energy: -6.178
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: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -151.572089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.572089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.572089 (E_RNA)
where:
Base-Base interactions energy: -83.681
where: short stacking energy: -49.933
Base-Backbone interact. energy: -0.657
local terms energy: -67.233967
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -3.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -137.918637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.918637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.918637 (E_RNA)
where:
Base-Base interactions energy: -70.085
where: short stacking energy: -51.264
Base-Backbone interact. energy: -0.312
local terms energy: -67.521589
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -96.430977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.430977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.430977 (E_RNA)
where:
Base-Base interactions energy: -30.544
where: short stacking energy: -30.544
Base-Backbone interact. energy: -0.201
local terms energy: -65.685227
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -359.141294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.141294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.141294 (E_RNA)
where:
Base-Base interactions energy: -252.257
where: short stacking energy: -94.324
Base-Backbone interact. energy: -0.404
local terms energy: -106.479676
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -23.576
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -25.810
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: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -331.544446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.544446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.544446 (E_RNA)
where:
Base-Base interactions energy: -226.113
where: short stacking energy: -98.646
Base-Backbone interact. energy: 0.249
local terms energy: -105.680136
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -27.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -265.601564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.601564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.601564 (E_RNA)
where:
Base-Base interactions energy: -179.829
where: short stacking energy: -83.816
Base-Backbone interact. energy: -0.018
local terms energy: -85.754737
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -18.558
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: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -260.300101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.300101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.300101 (E_RNA)
where:
Base-Base interactions energy: -158.959
where: short stacking energy: -72.950
Base-Backbone interact. energy: -1.391
local terms energy: -99.950844
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -22.383
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -18.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -267.000720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.000720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.000720 (E_RNA)
where:
Base-Base interactions energy: -175.519
where: short stacking energy: -79.195
Base-Backbone interact. energy: -0.051
local terms energy: -91.430117
where:
bonds (distance) C4'-P energy: -23.052
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -18.919
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: 24
Temperature: 1.150000
Total energy: -252.183843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.183843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.183843 (E_RNA)
where:
Base-Base interactions energy: -166.252
where: short stacking energy: -86.172
Base-Backbone interact. energy: -0.598
local terms energy: -85.333793
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -210.987827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.987827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.987827 (E_RNA)
where:
Base-Base interactions energy: -131.011
where: short stacking energy: -54.021
Base-Backbone interact. energy: -0.931
local terms energy: -79.046460
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -11.629
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: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -109.961835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.961835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.961835 (E_RNA)
where:
Base-Base interactions energy: -40.736
where: short stacking energy: -26.119
Base-Backbone interact. energy: -0.219
local terms energy: -69.006731
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -107.038781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.038781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.038781 (E_RNA)
where:
Base-Base interactions energy: -44.544
where: short stacking energy: -44.544
Base-Backbone interact. energy: -0.131
local terms energy: -62.363688
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -7.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -121.843980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.843980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.843980 (E_RNA)
where:
Base-Base interactions energy: -57.542
where: short stacking energy: -35.317
Base-Backbone interact. energy: -0.366
local terms energy: -63.936260
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -358.562861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.562861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.562861 (E_RNA)
where:
Base-Base interactions energy: -255.252
where: short stacking energy: -92.021
Base-Backbone interact. energy: -0.149
local terms energy: -103.161963
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -24.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -324.046035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.046035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.046035 (E_RNA)
where:
Base-Base interactions energy: -228.584
where: short stacking energy: -95.143
Base-Backbone interact. energy: 0.876
local terms energy: -96.338092
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -21.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -261.449708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.449708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.449708 (E_RNA)
where:
Base-Base interactions energy: -165.257
where: short stacking energy: -71.130
Base-Backbone interact. energy: -0.120
local terms energy: -96.072838
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -14.476
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: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -270.550747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.550747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.550747 (E_RNA)
where:
Base-Base interactions energy: -183.974
where: short stacking energy: -77.217
Base-Backbone interact. energy: -0.266
local terms energy: -86.311111
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -252.862679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.862679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.862679 (E_RNA)
where:
Base-Base interactions energy: -160.209
where: short stacking energy: -72.417
Base-Backbone interact. energy: -0.155
local terms energy: -92.498494
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -252.783000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.783000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.783000 (E_RNA)
where:
Base-Base interactions energy: -173.314
where: short stacking energy: -68.262
Base-Backbone interact. energy: -0.756
local terms energy: -78.713018
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -11.834
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: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -189.289293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.289293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.289293 (E_RNA)
where:
Base-Base interactions energy: -110.249
where: short stacking energy: -67.050
Base-Backbone interact. energy: -0.216
local terms energy: -78.823977
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -8.894
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: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -114.229896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.229896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.229896 (E_RNA)
where:
Base-Base interactions energy: -49.337
where: short stacking energy: -34.684
Base-Backbone interact. energy: 0.970
local terms energy: -65.862881
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -99.275441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.275441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.275441 (E_RNA)
where:
Base-Base interactions energy: -31.581
where: short stacking energy: -30.764
Base-Backbone interact. energy: -0.113
local terms energy: -67.581652
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -111.674088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.674088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.674088 (E_RNA)
where:
Base-Base interactions energy: -53.611
where: short stacking energy: -42.407
Base-Backbone interact. energy: -0.231
local terms energy: -57.832101
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -2.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -362.678932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.678932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.678932 (E_RNA)
where:
Base-Base interactions energy: -259.185
where: short stacking energy: -98.345
Base-Backbone interact. energy: -0.406
local terms energy: -103.088066
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -26.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -326.873090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.873090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.873090 (E_RNA)
where:
Base-Base interactions energy: -228.415
where: short stacking energy: -91.282
Base-Backbone interact. energy: -0.292
local terms energy: -98.166784
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -23.437
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: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -276.436447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.436447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.436447 (E_RNA)
where:
Base-Base interactions energy: -181.270
where: short stacking energy: -77.052
Base-Backbone interact. energy: -0.051
local terms energy: -95.115346
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -258.928392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.928392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.928392 (E_RNA)
where:
Base-Base interactions energy: -171.535
where: short stacking energy: -82.717
Base-Backbone interact. energy: -0.037
local terms energy: -87.357085
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -247.558883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.558883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.558883 (E_RNA)
where:
Base-Base interactions energy: -165.083
where: short stacking energy: -87.436
Base-Backbone interact. energy: -0.388
local terms energy: -82.088465
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -20.419
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: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -237.664338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.664338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.664338 (E_RNA)
where:
Base-Base interactions energy: -160.723
where: short stacking energy: -70.042
Base-Backbone interact. energy: -0.320
local terms energy: -76.621299
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -12.361
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: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -180.265915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.265915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.265915 (E_RNA)
where:
Base-Base interactions energy: -104.129
where: short stacking energy: -52.346
Base-Backbone interact. energy: -0.546
local terms energy: -75.590943
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -124.921926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.921926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.921926 (E_RNA)
where:
Base-Base interactions energy: -52.356
where: short stacking energy: -38.810
Base-Backbone interact. energy: 0.248
local terms energy: -72.814537
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -101.158239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.158239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.158239 (E_RNA)
where:
Base-Base interactions energy: -33.584
where: short stacking energy: -31.368
Base-Backbone interact. energy: -0.344
local terms energy: -67.230358
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -10.704
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: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -104.028611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.028611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.028611 (E_RNA)
where:
Base-Base interactions energy: -40.958
where: short stacking energy: -31.223
Base-Backbone interact. energy: -0.712
local terms energy: -62.358386
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -359.121913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.121913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.121913 (E_RNA)
where:
Base-Base interactions energy: -259.017
where: short stacking energy: -99.094
Base-Backbone interact. energy: -0.653
local terms energy: -99.452459
where:
bonds (distance) C4'-P energy: -20.006
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -23.215
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: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -319.965372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.965372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.965372 (E_RNA)
where:
Base-Base interactions energy: -217.332
where: short stacking energy: -95.515
Base-Backbone interact. energy: -0.000
local terms energy: -102.633495
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -26.971
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: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -274.973599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.973599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.973599 (E_RNA)
where:
Base-Base interactions energy: -178.191
where: short stacking energy: -85.909
Base-Backbone interact. energy: 0.986
local terms energy: -97.768599
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -20.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -256.429191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.429191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.429191 (E_RNA)
where:
Base-Base interactions energy: -162.694
where: short stacking energy: -72.574
Base-Backbone interact. energy: -0.194
local terms energy: -93.541835
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -252.062832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.062832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.062832 (E_RNA)
where:
Base-Base interactions energy: -159.296
where: short stacking energy: -75.912
Base-Backbone interact. energy: -0.201
local terms energy: -92.565870
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -16.182
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: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -202.734566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.734566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.734566 (E_RNA)
where:
Base-Base interactions energy: -115.795
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.123
local terms energy: -86.816739
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -11.914
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: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -188.235425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.235425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.235425 (E_RNA)
where:
Base-Base interactions energy: -111.147
where: short stacking energy: -69.024
Base-Backbone interact. energy: -0.961
local terms energy: -76.127717
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -125.477535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.477535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.477535 (E_RNA)
where:
Base-Base interactions energy: -50.054
where: short stacking energy: -40.596
Base-Backbone interact. energy: -0.233
local terms energy: -75.190531
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -180.292078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.292078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.292078 (E_RNA)
where:
Base-Base interactions energy: -100.858
where: short stacking energy: -51.505
Base-Backbone interact. energy: -0.567
local terms energy: -78.867946
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -8.713
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: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -87.347742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.347742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.347742 (E_RNA)
where:
Base-Base interactions energy: -37.657
where: short stacking energy: -30.853
Base-Backbone interact. energy: -0.306
local terms energy: -49.385543
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: 3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -355.522067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.522067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.522067 (E_RNA)
where:
Base-Base interactions energy: -253.931
where: short stacking energy: -98.616
Base-Backbone interact. energy: -0.257
local terms energy: -101.333355
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -318.177812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.177812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.177812 (E_RNA)
where:
Base-Base interactions energy: -214.606
where: short stacking energy: -91.205
Base-Backbone interact. energy: -0.041
local terms energy: -103.531306
where:
bonds (distance) C4'-P energy: -23.026
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -23.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -275.459260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.459260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.459260 (E_RNA)
where:
Base-Base interactions energy: -182.019
where: short stacking energy: -79.887
Base-Backbone interact. energy: -2.651
local terms energy: -90.789956
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -18.085
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: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -268.709950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.709950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.709950 (E_RNA)
where:
Base-Base interactions energy: -174.478
where: short stacking energy: -82.469
Base-Backbone interact. energy: -0.780
local terms energy: -93.452437
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -23.117
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: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -249.440961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.440961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.440961 (E_RNA)
where:
Base-Base interactions energy: -159.346
where: short stacking energy: -75.554
Base-Backbone interact. energy: -0.821
local terms energy: -89.274050
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -20.112
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: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -215.626325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.626325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.626325 (E_RNA)
where:
Base-Base interactions energy: -128.429
where: short stacking energy: -69.017
Base-Backbone interact. energy: -0.604
local terms energy: -86.593634
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -17.342
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: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -197.666548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.666548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.666548 (E_RNA)
where:
Base-Base interactions energy: -143.194
where: short stacking energy: -53.589
Base-Backbone interact. energy: -0.375
local terms energy: -54.096953
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -109.293579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.293579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.293579 (E_RNA)
where:
Base-Base interactions energy: -41.888
where: short stacking energy: -37.166
Base-Backbone interact. energy: -0.301
local terms energy: -67.104617
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -100.844371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.844371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.844371 (E_RNA)
where:
Base-Base interactions energy: -43.557
where: short stacking energy: -41.615
Base-Backbone interact. energy: 0.277
local terms energy: -57.563701
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -5.578
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -184.752554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.752554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.752554 (E_RNA)
where:
Base-Base interactions energy: -130.780
where: short stacking energy: -44.810
Base-Backbone interact. energy: -1.061
local terms energy: -52.911630
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -7.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -356.440645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.440645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.440645 (E_RNA)
where:
Base-Base interactions energy: -249.888
where: short stacking energy: -90.862
Base-Backbone interact. energy: -0.133
local terms energy: -106.419071
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -26.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -325.802203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.802203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.802203 (E_RNA)
where:
Base-Base interactions energy: -219.856
where: short stacking energy: -103.599
Base-Backbone interact. energy: 1.458
local terms energy: -107.404275
where:
bonds (distance) C4'-P energy: -22.824
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -23.804
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -29.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -266.022527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.022527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.022527 (E_RNA)
where:
Base-Base interactions energy: -187.387
where: short stacking energy: -79.064
Base-Backbone interact. energy: -0.154
local terms energy: -78.481271
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -258.045050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.045050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.045050 (E_RNA)
where:
Base-Base interactions energy: -160.199
where: short stacking energy: -93.090
Base-Backbone interact. energy: 0.246
local terms energy: -98.092207
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -22.645
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: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -241.098573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.098573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.098573 (E_RNA)
where:
Base-Base interactions energy: -157.377
where: short stacking energy: -80.730
Base-Backbone interact. energy: -0.281
local terms energy: -83.440315
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -222.776488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.776488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.776488 (E_RNA)
where:
Base-Base interactions energy: -137.239
where: short stacking energy: -78.072
Base-Backbone interact. energy: -0.160
local terms energy: -85.377085
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -19.171
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -22.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -196.033383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.033383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.033383 (E_RNA)
where:
Base-Base interactions energy: -113.730
where: short stacking energy: -67.629
Base-Backbone interact. energy: -0.934
local terms energy: -81.369137
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -8.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -120.230216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.230216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.230216 (E_RNA)
where:
Base-Base interactions energy: -43.024
where: short stacking energy: -32.761
Base-Backbone interact. energy: -0.145
local terms energy: -77.061388
where:
bonds (distance) C4'-P energy: -20.559
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -114.474213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.474213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.474213 (E_RNA)
where:
Base-Base interactions energy: -42.857
where: short stacking energy: -42.857
Base-Backbone interact. energy: -0.094
local terms energy: -71.524040
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -7.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -150.183801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.183801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.183801 (E_RNA)
where:
Base-Base interactions energy: -73.345
where: short stacking energy: -41.729
Base-Backbone interact. energy: -0.097
local terms energy: -76.741079
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -21.445
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -10.495
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: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -350.584274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.584274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.584274 (E_RNA)
where:
Base-Base interactions energy: -249.702
where: short stacking energy: -95.184
Base-Backbone interact. energy: -0.069
local terms energy: -100.813841
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -22.992
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -23.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -328.822858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.822858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.822858 (E_RNA)
where:
Base-Base interactions energy: -227.086
where: short stacking energy: -104.701
Base-Backbone interact. energy: -0.906
local terms energy: -100.830984
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -19.115
tors. eta vs tors. theta energy: -30.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -271.279551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.279551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.279551 (E_RNA)
where:
Base-Base interactions energy: -186.881
where: short stacking energy: -91.246
Base-Backbone interact. energy: -1.133
local terms energy: -83.265636
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -8.088
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: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -238.278890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.278890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.278890 (E_RNA)
where:
Base-Base interactions energy: -155.181
where: short stacking energy: -79.904
Base-Backbone interact. energy: 0.426
local terms energy: -83.524291
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -17.757
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: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -244.900503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.900503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.900503 (E_RNA)
where:
Base-Base interactions energy: -155.856
where: short stacking energy: -70.017
Base-Backbone interact. energy: -0.403
local terms energy: -88.642328
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -9.492
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: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -245.937788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.937788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.937788 (E_RNA)
where:
Base-Base interactions energy: -150.039
where: short stacking energy: -77.192
Base-Backbone interact. energy: -0.273
local terms energy: -95.626404
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -119.593009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.593009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.593009 (E_RNA)
where:
Base-Base interactions energy: -50.508
where: short stacking energy: -50.508
Base-Backbone interact. energy: -0.123
local terms energy: -68.961722
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -10.271
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: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -188.254023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.254023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.254023 (E_RNA)
where:
Base-Base interactions energy: -99.927
where: short stacking energy: -55.960
Base-Backbone interact. energy: -0.358
local terms energy: -87.968975
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -16.059
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: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -102.993024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.993024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.993024 (E_RNA)
where:
Base-Base interactions energy: -32.214
where: short stacking energy: -29.389
Base-Backbone interact. energy: -0.674
local terms energy: -70.105024
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: 0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -103.403570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.403570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.403570 (E_RNA)
where:
Base-Base interactions energy: -44.059
where: short stacking energy: -38.637
Base-Backbone interact. energy: -0.240
local terms energy: -59.104442
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -3.225
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: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -351.226226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.226226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.226226 (E_RNA)
where:
Base-Base interactions energy: -249.562
where: short stacking energy: -94.680
Base-Backbone interact. energy: -0.232
local terms energy: -101.432411
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -25.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -331.314622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.314622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.314622 (E_RNA)
where:
Base-Base interactions energy: -230.764
where: short stacking energy: -99.036
Base-Backbone interact. energy: -0.027
local terms energy: -100.523061
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -21.424
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -29.706
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: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -262.350055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.350055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.350055 (E_RNA)
where:
Base-Base interactions energy: -171.421
where: short stacking energy: -81.157
Base-Backbone interact. energy: -0.836
local terms energy: -90.093355
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -22.008
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: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -245.741200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.741200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.741200 (E_RNA)
where:
Base-Base interactions energy: -163.166
where: short stacking energy: -83.066
Base-Backbone interact. energy: -1.262
local terms energy: -81.313241
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -12.594
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: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -232.857501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.857501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.857501 (E_RNA)
where:
Base-Base interactions energy: -155.109
where: short stacking energy: -66.717
Base-Backbone interact. energy: -0.535
local terms energy: -77.213907
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -9.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -230.972437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.972437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.972437 (E_RNA)
where:
Base-Base interactions energy: -155.666
where: short stacking energy: -80.043
Base-Backbone interact. energy: -0.134
local terms energy: -75.172298
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -20.462
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -12.270
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: 7, replica: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -130.614894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.614894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.614894 (E_RNA)
where:
Base-Base interactions energy: -65.152
where: short stacking energy: -42.738
Base-Backbone interact. energy: 0.286
local terms energy: -65.748645
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -180.892574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.892574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.892574 (E_RNA)
where:
Base-Base interactions energy: -99.864
where: short stacking energy: -56.171
Base-Backbone interact. energy: -0.759
local terms energy: -80.269496
where:
bonds (distance) C4'-P energy: -22.869
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -110.065668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.065668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.065668 (E_RNA)
where:
Base-Base interactions energy: -42.950
where: short stacking energy: -33.108
Base-Backbone interact. energy: 2.138
local terms energy: -69.253922
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: 1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -100.487541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.487541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.487541 (E_RNA)
where:
Base-Base interactions energy: -38.413
where: short stacking energy: -33.022
Base-Backbone interact. energy: -0.233
local terms energy: -61.841699
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -6.783
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: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -351.644212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.644212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.644212 (E_RNA)
where:
Base-Base interactions energy: -255.147
where: short stacking energy: -97.440
Base-Backbone interact. energy: -0.101
local terms energy: -96.396781
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -23.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -324.446003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.446003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.446003 (E_RNA)
where:
Base-Base interactions energy: -224.498
where: short stacking energy: -95.863
Base-Backbone interact. energy: -0.042
local terms energy: -99.905422
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -31.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -267.797525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.797525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.797525 (E_RNA)
where:
Base-Base interactions energy: -179.693
where: short stacking energy: -88.956
Base-Backbone interact. energy: -0.973
local terms energy: -87.132104
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -12.162
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: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -255.415294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.415294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.415294 (E_RNA)
where:
Base-Base interactions energy: -160.788
where: short stacking energy: -79.923
Base-Backbone interact. energy: -1.378
local terms energy: -93.249215
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -14.788
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: 5, replica: 10
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -234.550140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.550140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.550140 (E_RNA)
where:
Base-Base interactions energy: -154.888
where: short stacking energy: -66.348
Base-Backbone interact. energy: -0.253
local terms energy: -79.409399
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -13.521
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: 32
Temperature: 1.150000
Total energy: -249.824559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.824559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.824559 (E_RNA)
where:
Base-Base interactions energy: -162.938
where: short stacking energy: -68.022
Base-Backbone interact. energy: -0.365
local terms energy: -86.521405
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -16.128
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: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -189.631105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.631105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.631105 (E_RNA)
where:
Base-Base interactions energy: -111.863
where: short stacking energy: -68.076
Base-Backbone interact. energy: -0.015
local terms energy: -77.753253
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -19.407
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -19.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -142.421248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.421248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.421248 (E_RNA)
where:
Base-Base interactions energy: -75.605
where: short stacking energy: -39.696
Base-Backbone interact. energy: -1.556
local terms energy: -65.260248
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -110.943151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.943151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.943151 (E_RNA)
where:
Base-Base interactions energy: -54.069
where: short stacking energy: -30.404
Base-Backbone interact. energy: -0.204
local terms energy: -56.670315
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: 3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -110.684023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.684023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.684023 (E_RNA)
where:
Base-Base interactions energy: -47.772
where: short stacking energy: -32.379
Base-Backbone interact. energy: -0.141
local terms energy: -62.771362
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: 0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -350.675505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.675505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.675505 (E_RNA)
where:
Base-Base interactions energy: -249.177
where: short stacking energy: -97.915
Base-Backbone interact. energy: -0.074
local terms energy: -101.425103
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -323.565811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.565811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.565811 (E_RNA)
where:
Base-Base interactions energy: -219.240
where: short stacking energy: -97.836
Base-Backbone interact. energy: -0.005
local terms energy: -104.320824
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -24.491
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -25.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -267.621475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.621475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.621475 (E_RNA)
where:
Base-Base interactions energy: -175.635
where: short stacking energy: -84.053
Base-Backbone interact. energy: -0.481
local terms energy: -91.505734
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -25.878
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: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -244.859717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.859717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.859717 (E_RNA)
where:
Base-Base interactions energy: -148.337
where: short stacking energy: -82.707
Base-Backbone interact. energy: -0.566
local terms energy: -95.956481
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -241.590651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.590651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.590651 (E_RNA)
where:
Base-Base interactions energy: -159.265
where: short stacking energy: -69.025
Base-Backbone interact. energy: -0.302
local terms energy: -82.023612
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -15.510
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: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -267.468550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.468550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.468550 (E_RNA)
where:
Base-Base interactions energy: -180.126
where: short stacking energy: -75.732
Base-Backbone interact. energy: 0.359
local terms energy: -87.701612
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -185.121567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.121567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.121567 (E_RNA)
where:
Base-Base interactions energy: -109.139
where: short stacking energy: -61.007
Base-Backbone interact. energy: 1.120
local terms energy: -77.102094
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -11.450
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: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -114.698076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.698076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.698076 (E_RNA)
where:
Base-Base interactions energy: -46.162
where: short stacking energy: -43.712
Base-Backbone interact. energy: 0.307
local terms energy: -68.843489
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -119.008006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.008006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.008006 (E_RNA)
where:
Base-Base interactions energy: -45.852
where: short stacking energy: -46.652
Base-Backbone interact. energy: 0.887
local terms energy: -74.042790
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -8.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -103.282506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.282506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.282506 (E_RNA)
where:
Base-Base interactions energy: -47.555
where: short stacking energy: -26.108
Base-Backbone interact. energy: -0.300
local terms energy: -55.427245
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: 0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -334.563627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.563627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.563627 (E_RNA)
where:
Base-Base interactions energy: -226.108
where: short stacking energy: -93.353
Base-Backbone interact. energy: -0.285
local terms energy: -108.170056
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -26.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -347.626933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.626933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.626933 (E_RNA)
where:
Base-Base interactions energy: -248.466
where: short stacking energy: -92.439
Base-Backbone interact. energy: -0.158
local terms energy: -99.003328
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -24.809
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: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -268.268542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.268542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.268542 (E_RNA)
where:
Base-Base interactions energy: -168.881
where: short stacking energy: -90.499
Base-Backbone interact. energy: -1.352
local terms energy: -98.034826
where:
bonds (distance) C4'-P energy: -22.531
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -10.532
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: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -246.479379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.479379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.479379 (E_RNA)
where:
Base-Base interactions energy: -149.746
where: short stacking energy: -80.797
Base-Backbone interact. energy: 1.057
local terms energy: -97.790368
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -261.720919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.720919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.720919 (E_RNA)
where:
Base-Base interactions energy: -176.377
where: short stacking energy: -73.699
Base-Backbone interact. energy: 0.632
local terms energy: -85.976167
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -14.002
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: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -243.182399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.182399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.182399 (E_RNA)
where:
Base-Base interactions energy: -145.672
where: short stacking energy: -80.920
Base-Backbone interact. energy: -0.631
local terms energy: -96.879823
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -24.600
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: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -192.104646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.104646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.104646 (E_RNA)
where:
Base-Base interactions energy: -110.474
where: short stacking energy: -61.547
Base-Backbone interact. energy: -0.348
local terms energy: -81.283012
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -114.796056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.796056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.796056 (E_RNA)
where:
Base-Base interactions energy: -49.056
where: short stacking energy: -47.070
Base-Backbone interact. energy: 0.841
local terms energy: -66.581930
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -120.882800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.882800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.882800 (E_RNA)
where:
Base-Base interactions energy: -57.244
where: short stacking energy: -32.493
Base-Backbone interact. energy: 0.278
local terms energy: -63.917053
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -100.814909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.814909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.814909 (E_RNA)
where:
Base-Base interactions energy: -42.378
where: short stacking energy: -36.326
Base-Backbone interact. energy: -0.105
local terms energy: -58.331867
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -335.755792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.755792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.755792 (E_RNA)
where:
Base-Base interactions energy: -222.570
where: short stacking energy: -94.578
Base-Backbone interact. energy: -0.199
local terms energy: -112.987231
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -24.000
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -29.550
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: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -348.330356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.330356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.330356 (E_RNA)
where:
Base-Base interactions energy: -247.584
where: short stacking energy: -93.076
Base-Backbone interact. energy: 0.453
local terms energy: -101.199108
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -22.043
flat angles C4'-P-C4' energy: -21.995
flat angles P-C4'-P energy: -16.698
tors. eta vs tors. theta energy: -19.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -269.294956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.294956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.294956 (E_RNA)
where:
Base-Base interactions energy: -170.916
where: short stacking energy: -85.162
Base-Backbone interact. energy: -0.104
local terms energy: -98.274928
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -21.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -274.702508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.702508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.702508 (E_RNA)
where:
Base-Base interactions energy: -184.714
where: short stacking energy: -81.794
Base-Backbone interact. energy: -0.908
local terms energy: -89.080065
where:
bonds (distance) C4'-P energy: -22.319
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -11.850
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: 5, replica: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -255.837462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.837462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.837462 (E_RNA)
where:
Base-Base interactions energy: -162.140
where: short stacking energy: -80.257
Base-Backbone interact. energy: -0.406
local terms energy: -93.291309
where:
bonds (distance) C4'-P energy: -21.209
bonds (distance) P-C4' energy: -23.604
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -21.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -225.133880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.133880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.133880 (E_RNA)
where:
Base-Base interactions energy: -149.534
where: short stacking energy: -77.995
Base-Backbone interact. energy: -0.062
local terms energy: -75.537763
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -230.402334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.402334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.402334 (E_RNA)
where:
Base-Base interactions energy: -141.390
where: short stacking energy: -67.017
Base-Backbone interact. energy: -0.867
local terms energy: -88.145535
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -19.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -111.315110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.315110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.315110 (E_RNA)
where:
Base-Base interactions energy: -46.671
where: short stacking energy: -40.157
Base-Backbone interact. energy: -0.122
local terms energy: -64.521626
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -121.208194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.208194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.208194 (E_RNA)
where:
Base-Base interactions energy: -66.352
where: short stacking energy: -35.512
Base-Backbone interact. energy: -0.285
local terms energy: -54.571177
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -18.954
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: 3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -198.359473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.359473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.359473 (E_RNA)
where:
Base-Base interactions energy: -123.175
where: short stacking energy: -51.990
Base-Backbone interact. energy: 1.330
local terms energy: -76.514966
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -13.496
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: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -355.003061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.003061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.003061 (E_RNA)
where:
Base-Base interactions energy: -251.745
where: short stacking energy: -97.352
Base-Backbone interact. energy: -0.098
local terms energy: -103.159547
where:
bonds (distance) C4'-P energy: -21.898
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -22.682
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -23.784
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: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -334.653841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.653841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.653841 (E_RNA)
where:
Base-Base interactions energy: -230.145
where: short stacking energy: -103.921
Base-Backbone interact. energy: -0.262
local terms energy: -104.246938
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -15.162
tors. eta vs tors. theta energy: -27.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -276.362942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.362942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.362942 (E_RNA)
where:
Base-Base interactions energy: -190.556
where: short stacking energy: -76.339
Base-Backbone interact. energy: -0.312
local terms energy: -85.495242
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -15.891
tors. eta vs tors. theta energy: -14.672
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: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -257.835420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.835420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.835420 (E_RNA)
where:
Base-Base interactions energy: -163.117
where: short stacking energy: -83.605
Base-Backbone interact. energy: 4.950
local terms energy: -99.668311
where:
bonds (distance) C4'-P energy: -19.125
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -233.906567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.906567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.906567 (E_RNA)
where:
Base-Base interactions energy: -140.967
where: short stacking energy: -78.844
Base-Backbone interact. energy: -0.264
local terms energy: -92.676246
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -23.880
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -12.031
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: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -195.472145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.472145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.472145 (E_RNA)
where:
Base-Base interactions energy: -118.262
where: short stacking energy: -59.756
Base-Backbone interact. energy: -0.139
local terms energy: -77.070827
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -238.153588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.153588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.153588 (E_RNA)
where:
Base-Base interactions energy: -150.173
where: short stacking energy: -72.937
Base-Backbone interact. energy: -0.112
local terms energy: -87.869106
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -107.312116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.312116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.312116 (E_RNA)
where:
Base-Base interactions energy: -38.536
where: short stacking energy: -36.328
Base-Backbone interact. energy: -0.223
local terms energy: -68.553536
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -7.689
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: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -201.612206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.612206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.612206 (E_RNA)
where:
Base-Base interactions energy: -118.764
where: short stacking energy: -66.535
Base-Backbone interact. energy: -0.190
local terms energy: -82.658689
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -11.914
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: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -121.028074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.028074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.028074 (E_RNA)
where:
Base-Base interactions energy: -63.150
where: short stacking energy: -37.067
Base-Backbone interact. energy: -0.475
local terms energy: -57.403049
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -3.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -358.947870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.947870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.947870 (E_RNA)
where:
Base-Base interactions energy: -255.287
where: short stacking energy: -96.064
Base-Backbone interact. energy: -0.289
local terms energy: -103.371623
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -27.680
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: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -328.968833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.968833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.968833 (E_RNA)
where:
Base-Base interactions energy: -222.452
where: short stacking energy: -96.729
Base-Backbone interact. energy: -0.814
local terms energy: -105.702944
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -25.413
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -28.426
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: 37
Temperature: 1.000000
Total energy: -292.283735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.283735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.283735 (E_RNA)
where:
Base-Base interactions energy: -202.496
where: short stacking energy: -86.564
Base-Backbone interact. energy: -0.449
local terms energy: -89.338791
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -272.925410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.925410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.925410 (E_RNA)
where:
Base-Base interactions energy: -170.813
where: short stacking energy: -100.140
Base-Backbone interact. energy: -0.102
local terms energy: -102.011235
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -27.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -226.199728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.199728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.199728 (E_RNA)
where:
Base-Base interactions energy: -156.733
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.196
local terms energy: -69.270639
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -4.995
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: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -243.625884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.625884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.625884 (E_RNA)
where:
Base-Base interactions energy: -146.195
where: short stacking energy: -71.066
Base-Backbone interact. energy: -0.463
local terms energy: -96.967206
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -22.534
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -18.059
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: 37
Temperature: 1.200000
Total energy: -204.351135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.351135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.351135 (E_RNA)
where:
Base-Base interactions energy: -118.722
where: short stacking energy: -70.813
Base-Backbone interact. energy: -0.144
local terms energy: -85.484699
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -19.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -178.944877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.944877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.944877 (E_RNA)
where:
Base-Base interactions energy: -110.234
where: short stacking energy: -51.566
Base-Backbone interact. energy: 0.150
local terms energy: -68.860670
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -142.708020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.708020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.708020 (E_RNA)
where:
Base-Base interactions energy: -76.868
where: short stacking energy: -51.742
Base-Backbone interact. energy: -0.285
local terms energy: -65.554917
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -6.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -103.553257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.553257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.553257 (E_RNA)
where:
Base-Base interactions energy: -46.405
where: short stacking energy: -42.647
Base-Backbone interact. energy: -0.186
local terms energy: -56.962445
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -357.027274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.027274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.027274 (E_RNA)
where:
Base-Base interactions energy: -252.866
where: short stacking energy: -94.329
Base-Backbone interact. energy: -0.118
local terms energy: -104.043314
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -24.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -332.166398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.166398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.166398 (E_RNA)
where:
Base-Base interactions energy: -230.349
where: short stacking energy: -97.746
Base-Backbone interact. energy: -0.124
local terms energy: -101.693652
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -22.608
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -25.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -281.151735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.151735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.151735 (E_RNA)
where:
Base-Base interactions energy: -197.646
where: short stacking energy: -86.616
Base-Backbone interact. energy: 0.575
local terms energy: -84.080352
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -15.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -268.155650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.155650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.155650 (E_RNA)
where:
Base-Base interactions energy: -166.196
where: short stacking energy: -83.742
Base-Backbone interact. energy: -0.030
local terms energy: -101.930430
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -26.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -249.422129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.422129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.422129 (E_RNA)
where:
Base-Base interactions energy: -155.210
where: short stacking energy: -85.540
Base-Backbone interact. energy: -0.107
local terms energy: -94.105211
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -20.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -226.363604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.363604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.363604 (E_RNA)
where:
Base-Base interactions energy: -143.071
where: short stacking energy: -56.238
Base-Backbone interact. energy: -0.012
local terms energy: -83.280706
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -11.491
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: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -176.807254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.807254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.807254 (E_RNA)
where:
Base-Base interactions energy: -96.306
where: short stacking energy: -59.206
Base-Backbone interact. energy: -0.838
local terms energy: -79.662887
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -120.126201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.126201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.126201 (E_RNA)
where:
Base-Base interactions energy: -58.688
where: short stacking energy: -31.797
Base-Backbone interact. energy: 1.201
local terms energy: -62.639099
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -161.970096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.970096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.970096 (E_RNA)
where:
Base-Base interactions energy: -94.596
where: short stacking energy: -46.780
Base-Backbone interact. energy: -0.278
local terms energy: -67.095419
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -95.279621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.279621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.279621 (E_RNA)
where:
Base-Base interactions energy: -37.726
where: short stacking energy: -31.475
Base-Backbone interact. energy: -0.217
local terms energy: -57.336746
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -22.088
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -350.839703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.839703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.839703 (E_RNA)
where:
Base-Base interactions energy: -242.923
where: short stacking energy: -93.778
Base-Backbone interact. energy: -0.108
local terms energy: -107.808543
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -23.366
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -25.177
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: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -289.750966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.750966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.750966 (E_RNA)
where:
Base-Base interactions energy: -196.683
where: short stacking energy: -94.220
Base-Backbone interact. energy: -0.811
local terms energy: -92.256978
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -22.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -325.281701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.281701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.281701 (E_RNA)
where:
Base-Base interactions energy: -217.147
where: short stacking energy: -97.852
Base-Backbone interact. energy: -0.989
local terms energy: -107.145689
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -23.489
flat angles P-C4'-P energy: -15.808
tors. eta vs tors. theta energy: -29.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -275.871034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.871034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.871034 (E_RNA)
where:
Base-Base interactions energy: -165.955
where: short stacking energy: -83.249
Base-Backbone interact. energy: -0.017
local terms energy: -109.899403
where:
bonds (distance) C4'-P energy: -23.729
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -28.708
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: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -254.974221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.974221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.974221 (E_RNA)
where:
Base-Base interactions energy: -170.011
where: short stacking energy: -87.838
Base-Backbone interact. energy: 1.133
local terms energy: -86.096163
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -21.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -222.768830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.768830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.768830 (E_RNA)
where:
Base-Base interactions energy: -137.390
where: short stacking energy: -57.200
Base-Backbone interact. energy: -0.150
local terms energy: -85.228259
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -12.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -170.308203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.308203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.308203 (E_RNA)
where:
Base-Base interactions energy: -103.381
where: short stacking energy: -55.187
Base-Backbone interact. energy: 0.211
local terms energy: -67.137860
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -1.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -175.075179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.075179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.075179 (E_RNA)
where:
Base-Base interactions energy: -111.077
where: short stacking energy: -65.120
Base-Backbone interact. energy: -0.385
local terms energy: -63.612912
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -12.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -101.106916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.106916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.106916 (E_RNA)
where:
Base-Base interactions energy: -41.542
where: short stacking energy: -36.690
Base-Backbone interact. energy: 0.035
local terms energy: -59.600458
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -115.937290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.937290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.937290 (E_RNA)
where:
Base-Base interactions energy: -58.596
where: short stacking energy: -25.671
Base-Backbone interact. energy: 1.813
local terms energy: -59.154575
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -10.443
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: 1, replica: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -358.187965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.187965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.187965 (E_RNA)
where:
Base-Base interactions energy: -250.149
where: short stacking energy: -90.223
Base-Backbone interact. energy: -0.162
local terms energy: -107.876911
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -26.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -304.180586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.180586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.180586 (E_RNA)
where:
Base-Base interactions energy: -214.436
where: short stacking energy: -89.857
Base-Backbone interact. energy: -1.592
local terms energy: -88.151649
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -20.783
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: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -327.403182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.403182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.403182 (E_RNA)
where:
Base-Base interactions energy: -224.510
where: short stacking energy: -92.968
Base-Backbone interact. energy: -0.059
local terms energy: -102.834345
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -25.206
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: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -273.732683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.732683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.732683 (E_RNA)
where:
Base-Base interactions energy: -175.822
where: short stacking energy: -105.958
Base-Backbone interact. energy: -0.003
local terms energy: -97.908357
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -27.952
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: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -252.020950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.020950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.020950 (E_RNA)
where:
Base-Base interactions energy: -158.921
where: short stacking energy: -76.047
Base-Backbone interact. energy: -0.109
local terms energy: -92.991107
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -18.868
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: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -222.250833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.250833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.250833 (E_RNA)
where:
Base-Base interactions energy: -149.524
where: short stacking energy: -67.360
Base-Backbone interact. energy: -0.215
local terms energy: -72.511451
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -171.340638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.340638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.340638 (E_RNA)
where:
Base-Base interactions energy: -95.976
where: short stacking energy: -62.320
Base-Backbone interact. energy: -0.087
local terms energy: -75.277642
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -174.377202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.377202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.377202 (E_RNA)
where:
Base-Base interactions energy: -99.079
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.632
local terms energy: -74.665909
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -8.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -104.590173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.590173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.590173 (E_RNA)
where:
Base-Base interactions energy: -41.134
where: short stacking energy: -39.715
Base-Backbone interact. energy: -0.276
local terms energy: -63.180121
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -121.826835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.826835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.826835 (E_RNA)
where:
Base-Base interactions energy: -51.353
where: short stacking energy: -37.422
Base-Backbone interact. energy: -0.511
local terms energy: -69.963665
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: 0.202
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: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -360.664901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.664901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.664901 (E_RNA)
where:
Base-Base interactions energy: -253.184
where: short stacking energy: -95.953
Base-Backbone interact. energy: -0.093
local terms energy: -107.388690
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -24.273
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: 41
Temperature: 0.950000
Total energy: -328.441559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.441559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.441559 (E_RNA)
where:
Base-Base interactions energy: -223.616
where: short stacking energy: -99.700
Base-Backbone interact. energy: -1.189
local terms energy: -103.636385
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -27.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -288.245344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.245344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.245344 (E_RNA)
where:
Base-Base interactions energy: -196.551
where: short stacking energy: -83.630
Base-Backbone interact. energy: -0.102
local terms energy: -91.592502
where:
bonds (distance) C4'-P energy: -22.501
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -252.043986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.043986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.043986 (E_RNA)
where:
Base-Base interactions energy: -167.186
where: short stacking energy: -76.371
Base-Backbone interact. energy: -1.270
local terms energy: -83.587384
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -251.097642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.097642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.097642 (E_RNA)
where:
Base-Base interactions energy: -162.576
where: short stacking energy: -85.320
Base-Backbone interact. energy: -0.225
local terms energy: -88.296264
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -11.824
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: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -224.277959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.277959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.277959 (E_RNA)
where:
Base-Base interactions energy: -147.067
where: short stacking energy: -69.006
Base-Backbone interact. energy: -0.045
local terms energy: -77.165592
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -11.600
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: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -173.312001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.312001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.312001 (E_RNA)
where:
Base-Base interactions energy: -90.464
where: short stacking energy: -58.283
Base-Backbone interact. energy: -0.616
local terms energy: -82.232635
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -11.921
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: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -163.886473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.886473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.886473 (E_RNA)
where:
Base-Base interactions energy: -103.876
where: short stacking energy: -52.646
Base-Backbone interact. energy: -0.596
local terms energy: -59.414599
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -21.558
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -101.953460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.953460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.953460 (E_RNA)
where:
Base-Base interactions energy: -44.470
where: short stacking energy: -34.167
Base-Backbone interact. energy: -0.725
local terms energy: -56.758061
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -2.644
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: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -137.208052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.208052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.208052 (E_RNA)
where:
Base-Base interactions energy: -76.775
where: short stacking energy: -37.271
Base-Backbone interact. energy: -0.400
local terms energy: -60.033073
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -10.978
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: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -355.370573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.370573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.370573 (E_RNA)
where:
Base-Base interactions energy: -246.847
where: short stacking energy: -94.435
Base-Backbone interact. energy: -0.040
local terms energy: -108.483906
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -25.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -319.339330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.339330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.339330 (E_RNA)
where:
Base-Base interactions energy: -216.051
where: short stacking energy: -90.777
Base-Backbone interact. energy: -0.750
local terms energy: -102.538635
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -26.257
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: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -285.365948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.365948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.365948 (E_RNA)
where:
Base-Base interactions energy: -203.843
where: short stacking energy: -83.318
Base-Backbone interact. energy: -0.522
local terms energy: -81.000976
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -271.865877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.865877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.865877 (E_RNA)
where:
Base-Base interactions energy: -175.838
where: short stacking energy: -97.927
Base-Backbone interact. energy: -0.003
local terms energy: -96.025697
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -20.485
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -26.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -248.672436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.672436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.672436 (E_RNA)
where:
Base-Base interactions energy: -155.241
where: short stacking energy: -82.371
Base-Backbone interact. energy: -0.026
local terms energy: -93.405788
where:
bonds (distance) C4'-P energy: -20.232
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -24.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -222.902298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.902298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.902298 (E_RNA)
where:
Base-Base interactions energy: -137.625
where: short stacking energy: -72.918
Base-Backbone interact. energy: -0.026
local terms energy: -85.251018
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -14.986
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: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -162.432786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.432786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.432786 (E_RNA)
where:
Base-Base interactions energy: -87.214
where: short stacking energy: -46.349
Base-Backbone interact. energy: -0.106
local terms energy: -75.112222
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -173.649501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.649501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.649501 (E_RNA)
where:
Base-Base interactions energy: -103.952
where: short stacking energy: -54.822
Base-Backbone interact. energy: -0.529
local terms energy: -69.168928
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -9.234
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: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -147.479143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.479143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.479143 (E_RNA)
where:
Base-Base interactions energy: -84.222
where: short stacking energy: -58.478
Base-Backbone interact. energy: 5.609
local terms energy: -68.866212
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -9.681
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: 42
Temperature: 1.350000
Total energy: -115.658715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.658715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.658715 (E_RNA)
where:
Base-Base interactions energy: -48.570
where: short stacking energy: -46.382
Base-Backbone interact. energy: -0.229
local terms energy: -66.859641
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -363.201752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.201752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.201752 (E_RNA)
where:
Base-Base interactions energy: -255.639
where: short stacking energy: -100.957
Base-Backbone interact. energy: -0.245
local terms energy: -107.317794
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -27.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -322.580531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.580531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.580531 (E_RNA)
where:
Base-Base interactions energy: -216.832
where: short stacking energy: -100.722
Base-Backbone interact. energy: -0.004
local terms energy: -105.745252
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -21.512
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -29.775
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: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -282.699689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.699689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.699689 (E_RNA)
where:
Base-Base interactions energy: -190.352
where: short stacking energy: -83.018
Base-Backbone interact. energy: -0.343
local terms energy: -92.004500
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -22.249
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -275.530825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.530825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.530825 (E_RNA)
where:
Base-Base interactions energy: -178.419
where: short stacking energy: -93.326
Base-Backbone interact. energy: -0.019
local terms energy: -97.092160
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -22.224
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -24.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -255.335637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.335637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.335637 (E_RNA)
where:
Base-Base interactions energy: -167.216
where: short stacking energy: -91.625
Base-Backbone interact. energy: -0.495
local terms energy: -87.624774
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -24.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -228.047708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.047708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.047708 (E_RNA)
where:
Base-Base interactions energy: -144.297
where: short stacking energy: -78.098
Base-Backbone interact. energy: -0.036
local terms energy: -83.715166
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -163.543621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.543621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.543621 (E_RNA)
where:
Base-Base interactions energy: -94.198
where: short stacking energy: -53.787
Base-Backbone interact. energy: -0.195
local terms energy: -69.150921
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -179.799420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.799420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.799420 (E_RNA)
where:
Base-Base interactions energy: -109.095
where: short stacking energy: -49.509
Base-Backbone interact. energy: -0.553
local terms energy: -70.151340
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -153.951045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.951045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.951045 (E_RNA)
where:
Base-Base interactions energy: -79.328
where: short stacking energy: -38.476
Base-Backbone interact. energy: 0.663
local terms energy: -75.286185
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -8.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -129.943196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.943196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.943196 (E_RNA)
where:
Base-Base interactions energy: -63.311
where: short stacking energy: -38.833
Base-Backbone interact. energy: -0.389
local terms energy: -66.243049
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -361.656332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.656332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.656332 (E_RNA)
where:
Base-Base interactions energy: -247.621
where: short stacking energy: -95.452
Base-Backbone interact. energy: -0.203
local terms energy: -113.832255
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -22.974
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -28.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -326.636878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.636878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.636878 (E_RNA)
where:
Base-Base interactions energy: -219.326
where: short stacking energy: -93.625
Base-Backbone interact. energy: -0.926
local terms energy: -106.384510
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -26.694
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: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -272.085438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.085438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.085438 (E_RNA)
where:
Base-Base interactions energy: -185.553
where: short stacking energy: -83.859
Base-Backbone interact. energy: -0.164
local terms energy: -86.367988
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -15.293
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: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -260.195802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.195802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.195802 (E_RNA)
where:
Base-Base interactions energy: -159.155
where: short stacking energy: -78.155
Base-Backbone interact. energy: -1.033
local terms energy: -100.008079
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -23.658
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: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -265.273659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.273659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.273659 (E_RNA)
where:
Base-Base interactions energy: -165.127
where: short stacking energy: -79.466
Base-Backbone interact. energy: -0.009
local terms energy: -100.137407
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -17.313
tors. eta vs tors. theta energy: -25.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -233.196378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.196378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.196378 (E_RNA)
where:
Base-Base interactions energy: -139.703
where: short stacking energy: -73.328
Base-Backbone interact. energy: -0.762
local terms energy: -92.731367
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -195.309907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.309907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.309907 (E_RNA)
where:
Base-Base interactions energy: -125.237
where: short stacking energy: -57.568
Base-Backbone interact. energy: -0.629
local terms energy: -69.443898
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -176.432674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.432674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.432674 (E_RNA)
where:
Base-Base interactions energy: -106.532
where: short stacking energy: -50.719
Base-Backbone interact. energy: -0.537
local terms energy: -69.363125
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -120.784801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.784801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.784801 (E_RNA)
where:
Base-Base interactions energy: -62.215
where: short stacking energy: -41.183
Base-Backbone interact. energy: -0.612
local terms energy: -57.958182
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -137.065445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.065445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.065445 (E_RNA)
where:
Base-Base interactions energy: -65.420
where: short stacking energy: -34.794
Base-Backbone interact. energy: -0.254
local terms energy: -71.390781
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -361.571699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.571699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.571699 (E_RNA)
where:
Base-Base interactions energy: -250.758
where: short stacking energy: -99.014
Base-Backbone interact. energy: -0.004
local terms energy: -110.809196
where:
bonds (distance) C4'-P energy: -21.706
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -27.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -325.820356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.820356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.820356 (E_RNA)
where:
Base-Base interactions energy: -227.325
where: short stacking energy: -108.036
Base-Backbone interact. energy: -0.095
local terms energy: -98.400171
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -23.484
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: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -290.309026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.309026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.309026 (E_RNA)
where:
Base-Base interactions energy: -200.931
where: short stacking energy: -88.735
Base-Backbone interact. energy: 0.311
local terms energy: -89.688840
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -19.993
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: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -270.584170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.584170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.584170 (E_RNA)
where:
Base-Base interactions energy: -181.955
where: short stacking energy: -79.849
Base-Backbone interact. energy: -0.227
local terms energy: -88.402495
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -242.286620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.286620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.286620 (E_RNA)
where:
Base-Base interactions energy: -155.186
where: short stacking energy: -76.853
Base-Backbone interact. energy: 0.145
local terms energy: -87.246160
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -23.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -185.067585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.067585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.067585 (E_RNA)
where:
Base-Base interactions energy: -105.139
where: short stacking energy: -48.417
Base-Backbone interact. energy: -0.128
local terms energy: -79.800880
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -214.387487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.387487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.387487 (E_RNA)
where:
Base-Base interactions energy: -139.437
where: short stacking energy: -67.017
Base-Backbone interact. energy: -0.610
local terms energy: -74.340717
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -182.356057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.356057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.356057 (E_RNA)
where:
Base-Base interactions energy: -109.979
where: short stacking energy: -62.050
Base-Backbone interact. energy: -0.278
local terms energy: -72.099554
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -10.914
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: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -152.400167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.400167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.400167 (E_RNA)
where:
Base-Base interactions energy: -81.422
where: short stacking energy: -43.064
Base-Backbone interact. energy: 0.662
local terms energy: -71.641064
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -102.834790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.834790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.834790 (E_RNA)
where:
Base-Base interactions energy: -42.115
where: short stacking energy: -41.884
Base-Backbone interact. energy: -0.132
local terms energy: -60.587383
where:
bonds (distance) C4'-P energy: -20.902
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -5.214
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: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -355.376155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.376155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.376155 (E_RNA)
where:
Base-Base interactions energy: -246.822
where: short stacking energy: -107.122
Base-Backbone interact. energy: -0.006
local terms energy: -108.547580
where:
bonds (distance) C4'-P energy: -22.224
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -26.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -321.012070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.012070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.012070 (E_RNA)
where:
Base-Base interactions energy: -221.296
where: short stacking energy: -102.724
Base-Backbone interact. energy: -0.249
local terms energy: -99.466105
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -28.501
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: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -293.756811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.756811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.756811 (E_RNA)
where:
Base-Base interactions energy: -193.227
where: short stacking energy: -89.092
Base-Backbone interact. energy: -0.033
local terms energy: -100.497167
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -16.913
tors. eta vs tors. theta energy: -25.363
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: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -270.854894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.854894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.854894 (E_RNA)
where:
Base-Base interactions energy: -193.544
where: short stacking energy: -80.036
Base-Backbone interact. energy: 0.662
local terms energy: -77.973827
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -249.865976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.865976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.865976 (E_RNA)
where:
Base-Base interactions energy: -163.365
where: short stacking energy: -76.468
Base-Backbone interact. energy: -0.144
local terms energy: -86.356941
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -22.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -188.232821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.232821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.232821 (E_RNA)
where:
Base-Base interactions energy: -107.357
where: short stacking energy: -61.879
Base-Backbone interact. energy: -0.267
local terms energy: -80.609517
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -197.060677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.060677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.060677 (E_RNA)
where:
Base-Base interactions energy: -117.399
where: short stacking energy: -75.293
Base-Backbone interact. energy: 0.005
local terms energy: -79.667285
where:
bonds (distance) C4'-P energy: -21.125
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -229.940677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.940677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.940677 (E_RNA)
where:
Base-Base interactions energy: -154.263
where: short stacking energy: -63.544
Base-Backbone interact. energy: -0.225
local terms energy: -75.451868
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -152.419922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.419922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.419922 (E_RNA)
where:
Base-Base interactions energy: -87.215
where: short stacking energy: -43.818
Base-Backbone interact. energy: -0.629
local terms energy: -64.575176
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -6.278
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: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -113.431535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.431535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.431535 (E_RNA)
where:
Base-Base interactions energy: -42.757
where: short stacking energy: -35.257
Base-Backbone interact. energy: -0.107
local terms energy: -70.567569
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -360.243519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.243519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.243519 (E_RNA)
where:
Base-Base interactions energy: -247.008
where: short stacking energy: -111.329
Base-Backbone interact. energy: -0.008
local terms energy: -113.226958
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -29.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -298.468916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.468916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.468916 (E_RNA)
where:
Base-Base interactions energy: -195.760
where: short stacking energy: -92.214
Base-Backbone interact. energy: -0.132
local terms energy: -102.576726
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -24.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -325.521260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.521260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.521260 (E_RNA)
where:
Base-Base interactions energy: -216.423
where: short stacking energy: -105.333
Base-Backbone interact. energy: -0.087
local terms energy: -109.011069
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -26.578
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: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -276.355147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.355147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.355147 (E_RNA)
where:
Base-Base interactions energy: -193.929
where: short stacking energy: -78.418
Base-Backbone interact. energy: 0.159
local terms energy: -82.585689
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -260.614690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.614690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.614690 (E_RNA)
where:
Base-Base interactions energy: -175.727
where: short stacking energy: -78.399
Base-Backbone interact. energy: -0.233
local terms energy: -84.654516
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -201.850916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.850916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.850916 (E_RNA)
where:
Base-Base interactions energy: -111.127
where: short stacking energy: -60.176
Base-Backbone interact. energy: -0.116
local terms energy: -90.607662
where:
bonds (distance) C4'-P energy: -22.886
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -170.524936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.524936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.524936 (E_RNA)
where:
Base-Base interactions energy: -104.073
where: short stacking energy: -76.978
Base-Backbone interact. energy: -0.014
local terms energy: -66.437575
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -8.567
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: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -290.890700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.890700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.890700 (E_RNA)
where:
Base-Base interactions energy: -208.361
where: short stacking energy: -74.691
Base-Backbone interact. energy: -0.385
local terms energy: -82.145095
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -20.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -136.067679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.067679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.067679 (E_RNA)
where:
Base-Base interactions energy: -75.036
where: short stacking energy: -36.167
Base-Backbone interact. energy: -0.521
local terms energy: -60.511185
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: 0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -104.264063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.264063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.264063 (E_RNA)
where:
Base-Base interactions energy: -24.082
where: short stacking energy: -24.082
Base-Backbone interact. energy: -0.989
local terms energy: -79.192407
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -14.116
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: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -359.504361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.504361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.504361 (E_RNA)
where:
Base-Base interactions energy: -251.000
where: short stacking energy: -107.641
Base-Backbone interact. energy: -0.157
local terms energy: -108.346845
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -30.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -304.565781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.565781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.565781 (E_RNA)
where:
Base-Base interactions energy: -199.384
where: short stacking energy: -99.928
Base-Backbone interact. energy: -0.678
local terms energy: -104.504247
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -26.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -317.724242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.724242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.724242 (E_RNA)
where:
Base-Base interactions energy: -226.648
where: short stacking energy: -104.530
Base-Backbone interact. energy: -0.195
local terms energy: -90.880901
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -27.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -282.938281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.938281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.938281 (E_RNA)
where:
Base-Base interactions energy: -199.205
where: short stacking energy: -79.470
Base-Backbone interact. energy: 0.530
local terms energy: -84.262752
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -15.112
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: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -255.997538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.997538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.997538 (E_RNA)
where:
Base-Base interactions energy: -171.239
where: short stacking energy: -77.747
Base-Backbone interact. energy: -0.151
local terms energy: -84.607461
where:
bonds (distance) C4'-P energy: -22.128
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -12.269
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: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -191.977774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.977774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.977774 (E_RNA)
where:
Base-Base interactions energy: -109.792
where: short stacking energy: -61.582
Base-Backbone interact. energy: -0.196
local terms energy: -81.990043
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -11.142
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: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -301.572211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.572211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.572211 (E_RNA)
where:
Base-Base interactions energy: -209.225
where: short stacking energy: -83.165
Base-Backbone interact. energy: -0.386
local terms energy: -91.962045
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -15.313
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: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -145.087647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.087647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.087647 (E_RNA)
where:
Base-Base interactions energy: -78.776
where: short stacking energy: -43.871
Base-Backbone interact. energy: -0.414
local terms energy: -65.897661
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -5.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -118.753359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.753359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.753359 (E_RNA)
where:
Base-Base interactions energy: -50.406
where: short stacking energy: -49.233
Base-Backbone interact. energy: -0.668
local terms energy: -67.678619
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -115.492190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.492190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.492190 (E_RNA)
where:
Base-Base interactions energy: -52.687
where: short stacking energy: -45.927
Base-Backbone interact. energy: 0.202
local terms energy: -63.006466
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -348.909558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.909558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.909558 (E_RNA)
where:
Base-Base interactions energy: -247.971
where: short stacking energy: -101.551
Base-Backbone interact. energy: -0.104
local terms energy: -100.834721
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -19.860
tors. eta vs tors. theta energy: -25.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -316.407603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.407603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.407603 (E_RNA)
where:
Base-Base interactions energy: -225.912
where: short stacking energy: -96.827
Base-Backbone interact. energy: -0.225
local terms energy: -90.270816
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -20.271
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: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -301.133246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.133246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.133246 (E_RNA)
where:
Base-Base interactions energy: -213.654
where: short stacking energy: -85.998
Base-Backbone interact. energy: -0.639
local terms energy: -86.840373
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -20.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -286.245822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.245822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.245822 (E_RNA)
where:
Base-Base interactions energy: -201.543
where: short stacking energy: -79.952
Base-Backbone interact. energy: -0.171
local terms energy: -84.532335
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -262.621339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.621339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.621339 (E_RNA)
where:
Base-Base interactions energy: -173.679
where: short stacking energy: -79.003
Base-Backbone interact. energy: -0.296
local terms energy: -88.646953
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -22.794
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -17.423
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: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -339.728643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.728643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.728643 (E_RNA)
where:
Base-Base interactions energy: -240.606
where: short stacking energy: -95.771
Base-Backbone interact. energy: -0.003
local terms energy: -99.119559
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -24.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -192.293728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.293728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.293728 (E_RNA)
where:
Base-Base interactions energy: -109.449
where: short stacking energy: -64.388
Base-Backbone interact. energy: -0.054
local terms energy: -82.791005
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -128.971180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.971180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.971180 (E_RNA)
where:
Base-Base interactions energy: -50.886
where: short stacking energy: -48.712
Base-Backbone interact. energy: -0.962
local terms energy: -77.123252
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -107.821531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.821531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.821531 (E_RNA)
where:
Base-Base interactions energy: -39.029
where: short stacking energy: -36.893
Base-Backbone interact. energy: -0.086
local terms energy: -68.706939
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -7.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -104.032265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.032265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.032265 (E_RNA)
where:
Base-Base interactions energy: -48.366
where: short stacking energy: -33.858
Base-Backbone interact. energy: 0.437
local terms energy: -56.103252
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: 1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -344.833157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.833157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.833157 (E_RNA)
where:
Base-Base interactions energy: -250.219
where: short stacking energy: -97.845
Base-Backbone interact. energy: -0.670
local terms energy: -93.943751
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -324.309057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.309057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.309057 (E_RNA)
where:
Base-Base interactions energy: -238.618
where: short stacking energy: -92.699
Base-Backbone interact. energy: -0.171
local terms energy: -85.520041
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -20.561
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -273.166709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.166709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.166709 (E_RNA)
where:
Base-Base interactions energy: -180.334
where: short stacking energy: -71.808
Base-Backbone interact. energy: -1.183
local terms energy: -91.649936
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -281.946026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.946026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.946026 (E_RNA)
where:
Base-Base interactions energy: -184.670
where: short stacking energy: -88.517
Base-Backbone interact. energy: -0.136
local terms energy: -97.140261
where:
bonds (distance) C4'-P energy: -23.834
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -317.262952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.262952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.262952 (E_RNA)
where:
Base-Base interactions energy: -222.598
where: short stacking energy: -92.937
Base-Backbone interact. energy: -0.089
local terms energy: -94.576186
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -239.239425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.239425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.239425 (E_RNA)
where:
Base-Base interactions energy: -144.822
where: short stacking energy: -65.157
Base-Backbone interact. energy: -0.497
local terms energy: -93.920301
where:
bonds (distance) C4'-P energy: -24.724
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -12.089
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: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -179.508310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.508310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.508310 (E_RNA)
where:
Base-Base interactions energy: -99.027
where: short stacking energy: -62.845
Base-Backbone interact. energy: 0.350
local terms energy: -80.831314
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -15.871
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: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -133.873231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.873231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.873231 (E_RNA)
where:
Base-Base interactions energy: -64.135
where: short stacking energy: -45.046
Base-Backbone interact. energy: -0.266
local terms energy: -69.472994
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -7.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -121.595264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.595264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.595264 (E_RNA)
where:
Base-Base interactions energy: -69.352
where: short stacking energy: -38.705
Base-Backbone interact. energy: -0.637
local terms energy: -51.606479
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -117.155017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.155017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.155017 (E_RNA)
where:
Base-Base interactions energy: -58.143
where: short stacking energy: -39.392
Base-Backbone interact. energy: 2.719
local terms energy: -61.730602
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -7.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -352.607552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.607552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.607552 (E_RNA)
where:
Base-Base interactions energy: -249.307
where: short stacking energy: -100.161
Base-Backbone interact. energy: -0.206
local terms energy: -103.094646
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -29.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -326.316484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.316484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.316484 (E_RNA)
where:
Base-Base interactions energy: -241.611
where: short stacking energy: -91.205
Base-Backbone interact. energy: -0.175
local terms energy: -84.531310
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -18.599
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: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -280.907967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.907967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.907967 (E_RNA)
where:
Base-Base interactions energy: -189.184
where: short stacking energy: -90.230
Base-Backbone interact. energy: -0.231
local terms energy: -91.493390
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -12.330
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: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -339.034260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.034260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.034260 (E_RNA)
where:
Base-Base interactions energy: -238.973
where: short stacking energy: -88.885
Base-Backbone interact. energy: -0.513
local terms energy: -99.547614
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -25.258
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: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -273.132978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.132978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.132978 (E_RNA)
where:
Base-Base interactions energy: -175.149
where: short stacking energy: -78.243
Base-Backbone interact. energy: -0.299
local terms energy: -97.685286
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -22.127
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: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -195.920693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.920693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.920693 (E_RNA)
where:
Base-Base interactions energy: -108.836
where: short stacking energy: -64.938
Base-Backbone interact. energy: -0.573
local terms energy: -86.511466
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -21.184
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -13.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -234.597278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.597278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.597278 (E_RNA)
where:
Base-Base interactions energy: -150.334
where: short stacking energy: -53.288
Base-Backbone interact. energy: -0.158
local terms energy: -84.105323
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -21.486
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -114.808632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.808632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.808632 (E_RNA)
where:
Base-Base interactions energy: -60.465
where: short stacking energy: -34.767
Base-Backbone interact. energy: 0.102
local terms energy: -54.445030
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -3.621
tors. eta vs tors. theta energy: -1.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -109.395246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.395246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.395246 (E_RNA)
where:
Base-Base interactions energy: -41.576
where: short stacking energy: -38.081
Base-Backbone interact. energy: -0.339
local terms energy: -67.480917
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -19.649
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -98.855954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.855954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.855954 (E_RNA)
where:
Base-Base interactions energy: -50.695
where: short stacking energy: -44.460
Base-Backbone interact. energy: 0.716
local terms energy: -48.877263
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -8.323
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -343.804697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.804697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.804697 (E_RNA)
where:
Base-Base interactions energy: -242.464
where: short stacking energy: -95.769
Base-Backbone interact. energy: -0.325
local terms energy: -101.015191
where:
bonds (distance) C4'-P energy: -20.721
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -22.758
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: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -310.121118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.121118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.121118 (E_RNA)
where:
Base-Base interactions energy: -224.908
where: short stacking energy: -91.007
Base-Backbone interact. energy: -0.099
local terms energy: -85.113731
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -11.348
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: 3, replica: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -355.470161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.470161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.470161 (E_RNA)
where:
Base-Base interactions energy: -251.379
where: short stacking energy: -91.355
Base-Backbone interact. energy: -0.100
local terms energy: -103.991105
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -23.122
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -22.607
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: 52
Temperature: 1.050000
Total energy: -288.512325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.512325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.512325 (E_RNA)
where:
Base-Base interactions energy: -196.240
where: short stacking energy: -76.687
Base-Backbone interact. energy: -1.109
local terms energy: -91.162577
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -15.519
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: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -248.496114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.496114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.496114 (E_RNA)
where:
Base-Base interactions energy: -152.325
where: short stacking energy: -77.178
Base-Backbone interact. energy: -0.013
local terms energy: -96.158094
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -21.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -192.695720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.695720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.695720 (E_RNA)
where:
Base-Base interactions energy: -113.647
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.154
local terms energy: -78.894187
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -13.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -234.418052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.418052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.418052 (E_RNA)
where:
Base-Base interactions energy: -142.652
where: short stacking energy: -77.821
Base-Backbone interact. energy: -0.034
local terms energy: -91.731960
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -23.977
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: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -113.151921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.151921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.151921 (E_RNA)
where:
Base-Base interactions energy: -38.628
where: short stacking energy: -38.395
Base-Backbone interact. energy: 1.302
local terms energy: -75.825987
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -107.986547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.986547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.986547 (E_RNA)
where:
Base-Base interactions energy: -45.434
where: short stacking energy: -39.221
Base-Backbone interact. energy: -1.186
local terms energy: -61.366822
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -114.972154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.972154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.972154 (E_RNA)
where:
Base-Base interactions energy: -50.028
where: short stacking energy: -42.633
Base-Backbone interact. energy: 0.346
local terms energy: -65.290153
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -357.775606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.775606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.775606 (E_RNA)
where:
Base-Base interactions energy: -262.190
where: short stacking energy: -94.913
Base-Backbone interact. energy: -0.805
local terms energy: -94.780066
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -20.267
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: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -347.824156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.824156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.824156 (E_RNA)
where:
Base-Base interactions energy: -247.274
where: short stacking energy: -89.005
Base-Backbone interact. energy: -0.199
local terms energy: -100.350972
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -23.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -304.318126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.318126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.318126 (E_RNA)
where:
Base-Base interactions energy: -215.460
where: short stacking energy: -88.131
Base-Backbone interact. energy: -0.130
local terms energy: -88.728410
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -21.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -294.810669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.810669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.810669 (E_RNA)
where:
Base-Base interactions energy: -204.410
where: short stacking energy: -82.985
Base-Backbone interact. energy: -0.223
local terms energy: -90.177953
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -20.283
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: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -245.945835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.945835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.945835 (E_RNA)
where:
Base-Base interactions energy: -151.951
where: short stacking energy: -75.318
Base-Backbone interact. energy: -0.651
local terms energy: -93.343836
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -21.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -250.761872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.761872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.761872 (E_RNA)
where:
Base-Base interactions energy: -161.215
where: short stacking energy: -68.972
Base-Backbone interact. energy: -0.078
local terms energy: -89.469190
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -4.809
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: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -178.261540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.261540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.261540 (E_RNA)
where:
Base-Base interactions energy: -104.965
where: short stacking energy: -56.796
Base-Backbone interact. energy: -0.053
local terms energy: -73.243003
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -4.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -113.500236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.500236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.500236 (E_RNA)
where:
Base-Base interactions energy: -36.736
where: short stacking energy: -35.921
Base-Backbone interact. energy: -0.578
local terms energy: -76.186600
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -107.286464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.286464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.286464 (E_RNA)
where:
Base-Base interactions energy: -37.016
where: short stacking energy: -26.557
Base-Backbone interact. energy: -0.000
local terms energy: -70.269637
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -107.753091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.753091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.753091 (E_RNA)
where:
Base-Base interactions energy: -46.344
where: short stacking energy: -28.579
Base-Backbone interact. energy: -0.071
local terms energy: -61.338523
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -356.713440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.713440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.713440 (E_RNA)
where:
Base-Base interactions energy: -259.969
where: short stacking energy: -97.548
Base-Backbone interact. energy: -0.300
local terms energy: -96.444643
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -24.524
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: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -353.786630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.786630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.786630 (E_RNA)
where:
Base-Base interactions energy: -257.272
where: short stacking energy: -90.221
Base-Backbone interact. energy: -0.334
local terms energy: -96.180294
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -14.714
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -307.611101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.611101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.611101 (E_RNA)
where:
Base-Base interactions energy: -203.527
where: short stacking energy: -78.296
Base-Backbone interact. energy: -0.145
local terms energy: -103.939199
where:
bonds (distance) C4'-P energy: -23.171
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -20.321
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: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -284.102294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.102294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.102294 (E_RNA)
where:
Base-Base interactions energy: -190.073
where: short stacking energy: -83.668
Base-Backbone interact. energy: 0.997
local terms energy: -95.026584
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -246.572877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.572877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.572877 (E_RNA)
where:
Base-Base interactions energy: -167.854
where: short stacking energy: -73.876
Base-Backbone interact. energy: 0.617
local terms energy: -79.335416
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -17.942
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: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -255.659906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.659906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.659906 (E_RNA)
where:
Base-Base interactions energy: -169.185
where: short stacking energy: -76.225
Base-Backbone interact. energy: -0.455
local terms energy: -86.020124
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -192.761068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.761068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.761068 (E_RNA)
where:
Base-Base interactions energy: -106.941
where: short stacking energy: -70.188
Base-Backbone interact. energy: 2.130
local terms energy: -87.949492
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -20.991
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -122.718640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.718640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.718640 (E_RNA)
where:
Base-Base interactions energy: -67.345
where: short stacking energy: -33.110
Base-Backbone interact. energy: 0.239
local terms energy: -55.612751
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: 0.244
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: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -117.731986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.731986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.731986 (E_RNA)
where:
Base-Base interactions energy: -68.049
where: short stacking energy: -42.352
Base-Backbone interact. energy: -0.262
local terms energy: -49.420530
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -7.696
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -3.284
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: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -99.043912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.043912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.043912 (E_RNA)
where:
Base-Base interactions energy: -30.427
where: short stacking energy: -23.659
Base-Backbone interact. energy: -0.103
local terms energy: -68.513558
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -11.374
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: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -354.650968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.650968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.650968 (E_RNA)
where:
Base-Base interactions energy: -246.056
where: short stacking energy: -94.383
Base-Backbone interact. energy: -0.404
local terms energy: -108.191209
where:
bonds (distance) C4'-P energy: -19.687
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -20.718
tors. eta vs tors. theta energy: -25.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -343.926308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.926308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.926308 (E_RNA)
where:
Base-Base interactions energy: -259.705
where: short stacking energy: -95.725
Base-Backbone interact. energy: -0.293
local terms energy: -83.929042
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -24.206
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -21.295
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: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -303.410948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.410948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.410948 (E_RNA)
where:
Base-Base interactions energy: -203.147
where: short stacking energy: -101.178
Base-Backbone interact. energy: -0.241
local terms energy: -100.022896
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -26.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -291.303146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.303146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.303146 (E_RNA)
where:
Base-Base interactions energy: -191.455
where: short stacking energy: -88.138
Base-Backbone interact. energy: -0.364
local terms energy: -99.483947
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -23.033
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -23.980
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: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -251.874955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.874955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.874955 (E_RNA)
where:
Base-Base interactions energy: -165.645
where: short stacking energy: -81.146
Base-Backbone interact. energy: -0.216
local terms energy: -86.014708
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -237.192053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.192053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.192053 (E_RNA)
where:
Base-Base interactions energy: -161.105
where: short stacking energy: -72.292
Base-Backbone interact. energy: -1.164
local terms energy: -74.922485
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -193.619842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.619842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.619842 (E_RNA)
where:
Base-Base interactions energy: -119.477
where: short stacking energy: -67.662
Base-Backbone interact. energy: 0.441
local terms energy: -74.583472
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -11.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -120.824965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.824965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.824965 (E_RNA)
where:
Base-Base interactions energy: -49.988
where: short stacking energy: -42.943
Base-Backbone interact. energy: -0.017
local terms energy: -70.819923
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -169.772794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.772794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.772794 (E_RNA)
where:
Base-Base interactions energy: -106.840
where: short stacking energy: -57.756
Base-Backbone interact. energy: -0.290
local terms energy: -62.642266
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -101.927732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.927732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.927732 (E_RNA)
where:
Base-Base interactions energy: -34.139
where: short stacking energy: -31.611
Base-Backbone interact. energy: -0.220
local terms energy: -67.569005
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: 3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -364.461042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.461042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.461042 (E_RNA)
where:
Base-Base interactions energy: -279.519
where: short stacking energy: -102.383
Base-Backbone interact. energy: -0.507
local terms energy: -84.435135
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -349.885541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.885541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.885541 (E_RNA)
where:
Base-Base interactions energy: -241.585
where: short stacking energy: -90.981
Base-Backbone interact. energy: -0.185
local terms energy: -108.115749
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -22.504
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -26.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -302.595282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.595282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.595282 (E_RNA)
where:
Base-Base interactions energy: -211.564
where: short stacking energy: -84.671
Base-Backbone interact. energy: 0.463
local terms energy: -91.494050
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -14.054
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: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -318.614029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.614029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.614029 (E_RNA)
where:
Base-Base interactions energy: -222.832
where: short stacking energy: -96.490
Base-Backbone interact. energy: -0.087
local terms energy: -95.695168
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -25.806
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: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -247.593861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.593861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.593861 (E_RNA)
where:
Base-Base interactions energy: -158.033
where: short stacking energy: -74.520
Base-Backbone interact. energy: -0.718
local terms energy: -88.842692
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -12.788
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: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -237.870995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.870995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.870995 (E_RNA)
where:
Base-Base interactions energy: -147.483
where: short stacking energy: -67.814
Base-Backbone interact. energy: -0.827
local terms energy: -89.560690
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -166.608740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.608740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.608740 (E_RNA)
where:
Base-Base interactions energy: -96.682
where: short stacking energy: -47.845
Base-Backbone interact. energy: -0.364
local terms energy: -69.562647
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -122.918060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.918060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.918060 (E_RNA)
where:
Base-Base interactions energy: -59.604
where: short stacking energy: -57.560
Base-Backbone interact. energy: -0.682
local terms energy: -62.632259
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -99.681437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.681437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.681437 (E_RNA)
where:
Base-Base interactions energy: -37.959
where: short stacking energy: -21.928
Base-Backbone interact. energy: -0.372
local terms energy: -61.350061
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: 6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -153.931345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.931345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.931345 (E_RNA)
where:
Base-Base interactions energy: -94.479
where: short stacking energy: -36.311
Base-Backbone interact. energy: -0.318
local terms energy: -59.134508
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -3.650
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: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -354.860227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.860227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.860227 (E_RNA)
where:
Base-Base interactions energy: -256.229
where: short stacking energy: -93.184
Base-Backbone interact. energy: -1.019
local terms energy: -97.612192
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -353.686433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.686433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.686433 (E_RNA)
where:
Base-Base interactions energy: -247.692
where: short stacking energy: -95.799
Base-Backbone interact. energy: -0.107
local terms energy: -105.887792
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -22.268
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -25.647
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: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -294.447900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.447900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.447900 (E_RNA)
where:
Base-Base interactions energy: -199.435
where: short stacking energy: -87.123
Base-Backbone interact. energy: -0.160
local terms energy: -94.852858
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -318.346688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.346688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.346688 (E_RNA)
where:
Base-Base interactions energy: -219.938
where: short stacking energy: -94.342
Base-Backbone interact. energy: -0.012
local terms energy: -98.396892
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -30.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -253.316915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.316915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.316915 (E_RNA)
where:
Base-Base interactions energy: -165.229
where: short stacking energy: -75.496
Base-Backbone interact. energy: 1.002
local terms energy: -89.089466
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -17.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -189.560077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.560077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.560077 (E_RNA)
where:
Base-Base interactions energy: -105.719
where: short stacking energy: -66.109
Base-Backbone interact. energy: -0.245
local terms energy: -83.596148
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -11.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -228.240661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.240661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.240661 (E_RNA)
where:
Base-Base interactions energy: -147.165
where: short stacking energy: -72.581
Base-Backbone interact. energy: -1.239
local terms energy: -79.835958
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -17.314
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -18.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -108.559573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.559573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.559573 (E_RNA)
where:
Base-Base interactions energy: -42.686
where: short stacking energy: -42.686
Base-Backbone interact. energy: -1.498
local terms energy: -64.375499
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -109.789806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.789806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.789806 (E_RNA)
where:
Base-Base interactions energy: -37.274
where: short stacking energy: -31.842
Base-Backbone interact. energy: 0.414
local terms energy: -72.929375
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -160.829888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.829888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.829888 (E_RNA)
where:
Base-Base interactions energy: -87.482
where: short stacking energy: -49.820
Base-Backbone interact. energy: -0.203
local terms energy: -73.145223
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -6.920
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: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -358.823343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.823343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.823343 (E_RNA)
where:
Base-Base interactions energy: -253.246
where: short stacking energy: -95.046
Base-Backbone interact. energy: -0.164
local terms energy: -105.412603
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -29.622
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: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -353.945923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.945923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.945923 (E_RNA)
where:
Base-Base interactions energy: -256.565
where: short stacking energy: -93.224
Base-Backbone interact. energy: 1.627
local terms energy: -99.008157
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -24.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -312.016040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.016040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.016040 (E_RNA)
where:
Base-Base interactions energy: -215.643
where: short stacking energy: -97.482
Base-Backbone interact. energy: -0.839
local terms energy: -95.533677
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -25.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -285.205172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.205172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.205172 (E_RNA)
where:
Base-Base interactions energy: -200.667
where: short stacking energy: -74.648
Base-Backbone interact. energy: -0.955
local terms energy: -83.583410
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -21.769
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -272.388763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.388763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.388763 (E_RNA)
where:
Base-Base interactions energy: -177.157
where: short stacking energy: -80.644
Base-Backbone interact. energy: -0.337
local terms energy: -94.894128
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -21.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -212.378449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.378449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.378449 (E_RNA)
where:
Base-Base interactions energy: -140.036
where: short stacking energy: -65.795
Base-Backbone interact. energy: -0.445
local terms energy: -71.896868
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -12.139
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: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -235.309741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.309741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.309741 (E_RNA)
where:
Base-Base interactions energy: -139.075
where: short stacking energy: -68.495
Base-Backbone interact. energy: -0.120
local terms energy: -96.114478
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -23.073
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -22.190
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: 8, replica: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -118.981162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.981162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.981162 (E_RNA)
where:
Base-Base interactions energy: -58.284
where: short stacking energy: -34.490
Base-Backbone interact. energy: -0.279
local terms energy: -60.417917
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -171.043053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.043053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.043053 (E_RNA)
where:
Base-Base interactions energy: -95.816
where: short stacking energy: -50.398
Base-Backbone interact. energy: -0.306
local terms energy: -74.921003
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -103.585351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.585351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.585351 (E_RNA)
where:
Base-Base interactions energy: -42.015
where: short stacking energy: -42.015
Base-Backbone interact. energy: -0.329
local terms energy: -61.241546
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -355.678908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.678908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.678908 (E_RNA)
where:
Base-Base interactions energy: -244.637
where: short stacking energy: -97.920
Base-Backbone interact. energy: -0.103
local terms energy: -110.938633
where:
bonds (distance) C4'-P energy: -24.939
bonds (distance) P-C4' energy: -23.395
flat angles C4'-P-C4' energy: -23.602
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -349.115680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.115680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.115680 (E_RNA)
where:
Base-Base interactions energy: -254.054
where: short stacking energy: -93.464
Base-Backbone interact. energy: -0.667
local terms energy: -94.393727
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -320.243965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.243965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.243965 (E_RNA)
where:
Base-Base interactions energy: -219.023
where: short stacking energy: -98.186
Base-Backbone interact. energy: -0.113
local terms energy: -101.107619
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -22.242
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -26.101
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: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -294.324229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.324229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.324229 (E_RNA)
where:
Base-Base interactions energy: -206.759
where: short stacking energy: -87.687
Base-Backbone interact. energy: 1.431
local terms energy: -88.995647
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -22.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -279.763922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.763922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.763922 (E_RNA)
where:
Base-Base interactions energy: -198.238
where: short stacking energy: -79.360
Base-Backbone interact. energy: -0.164
local terms energy: -81.362484
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -22.561
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -3.534
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -241.100996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.100996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.100996 (E_RNA)
where:
Base-Base interactions energy: -154.590
where: short stacking energy: -71.661
Base-Backbone interact. energy: -1.756
local terms energy: -84.755358
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -228.584950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.584950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.584950 (E_RNA)
where:
Base-Base interactions energy: -153.915
where: short stacking energy: -72.702
Base-Backbone interact. energy: -0.695
local terms energy: -73.974309
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -174.794186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.794186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.794186 (E_RNA)
where:
Base-Base interactions energy: -94.219
where: short stacking energy: -55.855
Base-Backbone interact. energy: -0.191
local terms energy: -80.383823
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -23.019
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -11.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -112.176773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.176773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.176773 (E_RNA)
where:
Base-Base interactions energy: -58.972
where: short stacking energy: -30.434
Base-Backbone interact. energy: -0.027
local terms energy: -53.177823
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: 1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -105.544156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.544156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.544156 (E_RNA)
where:
Base-Base interactions energy: -27.416
where: short stacking energy: -27.416
Base-Backbone interact. energy: -0.287
local terms energy: -77.841323
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -355.070180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.070180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.070180 (E_RNA)
where:
Base-Base interactions energy: -256.067
where: short stacking energy: -92.994
Base-Backbone interact. energy: -0.122
local terms energy: -98.881066
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -25.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -350.276793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.276793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.276793 (E_RNA)
where:
Base-Base interactions energy: -252.997
where: short stacking energy: -94.598
Base-Backbone interact. energy: -0.355
local terms energy: -96.924348
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -21.764
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -331.830625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.830625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.830625 (E_RNA)
where:
Base-Base interactions energy: -224.956
where: short stacking energy: -95.243
Base-Backbone interact. energy: -0.111
local terms energy: -106.763634
where:
bonds (distance) C4'-P energy: -23.655
bonds (distance) P-C4' energy: -21.135
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -28.933
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: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -298.488258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.488258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.488258 (E_RNA)
where:
Base-Base interactions energy: -200.742
where: short stacking energy: -100.982
Base-Backbone interact. energy: -0.530
local terms energy: -97.216153
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -29.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -278.295664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.295664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.295664 (E_RNA)
where:
Base-Base interactions energy: -184.539
where: short stacking energy: -82.251
Base-Backbone interact. energy: -0.158
local terms energy: -93.597990
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -24.682
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: 60
Temperature: 1.150000
Total energy: -237.547506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.547506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.547506 (E_RNA)
where:
Base-Base interactions energy: -151.370
where: short stacking energy: -69.909
Base-Backbone interact. energy: 0.583
local terms energy: -86.760929
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -20.482
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -234.269433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.269433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.269433 (E_RNA)
where:
Base-Base interactions energy: -148.666
where: short stacking energy: -65.150
Base-Backbone interact. energy: -0.384
local terms energy: -85.220261
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -173.041366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.041366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.041366 (E_RNA)
where:
Base-Base interactions energy: -104.775
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.203
local terms energy: -68.062683
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -141.917573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.917573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.917573 (E_RNA)
where:
Base-Base interactions energy: -80.408
where: short stacking energy: -49.312
Base-Backbone interact. energy: -0.201
local terms energy: -61.308158
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -9.055
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: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -106.054515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.054515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.054515 (E_RNA)
where:
Base-Base interactions energy: -40.788
where: short stacking energy: -37.167
Base-Backbone interact. energy: -0.169
local terms energy: -65.097476
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -343.042317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.042317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.042317 (E_RNA)
where:
Base-Base interactions energy: -245.186
where: short stacking energy: -87.099
Base-Backbone interact. energy: -0.507
local terms energy: -97.348606
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -25.267
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -349.176872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.176872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.176872 (E_RNA)
where:
Base-Base interactions energy: -254.193
where: short stacking energy: -89.822
Base-Backbone interact. energy: -0.364
local terms energy: -94.619867
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -320.732658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.732658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.732658 (E_RNA)
where:
Base-Base interactions energy: -217.745
where: short stacking energy: -93.924
Base-Backbone interact. energy: -0.034
local terms energy: -102.953729
where:
bonds (distance) C4'-P energy: -22.993
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -24.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -297.777027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.777027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.777027 (E_RNA)
where:
Base-Base interactions energy: -196.944
where: short stacking energy: -85.417
Base-Backbone interact. energy: -0.563
local terms energy: -100.269913
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -23.152
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: 61
Temperature: 1.100000
Total energy: -283.643243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.643243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.643243 (E_RNA)
where:
Base-Base interactions energy: -179.922
where: short stacking energy: -80.655
Base-Backbone interact. energy: -2.405
local terms energy: -101.316474
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -25.798
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: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -241.418624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.418624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.418624 (E_RNA)
where:
Base-Base interactions energy: -156.380
where: short stacking energy: -77.275
Base-Backbone interact. energy: 1.118
local terms energy: -86.155984
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -241.402721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.402721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.402721 (E_RNA)
where:
Base-Base interactions energy: -162.392
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.216
local terms energy: -78.794707
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -12.926
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: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -148.303877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.303877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.303877 (E_RNA)
where:
Base-Base interactions energy: -84.742
where: short stacking energy: -47.633
Base-Backbone interact. energy: 0.242
local terms energy: -63.803615
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -5.015
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: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -168.334687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.334687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.334687 (E_RNA)
where:
Base-Base interactions energy: -97.265
where: short stacking energy: -59.936
Base-Backbone interact. energy: -1.130
local terms energy: -69.939885
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -8.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -114.057729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.057729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.057729 (E_RNA)
where:
Base-Base interactions energy: -44.046
where: short stacking energy: -30.160
Base-Backbone interact. energy: -0.608
local terms energy: -69.403660
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -349.680376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.680376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.680376 (E_RNA)
where:
Base-Base interactions energy: -251.505
where: short stacking energy: -89.473
Base-Backbone interact. energy: -0.243
local terms energy: -97.932275
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -19.956
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: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -345.094448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.094448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.094448 (E_RNA)
where:
Base-Base interactions energy: -245.772
where: short stacking energy: -90.244
Base-Backbone interact. energy: -0.297
local terms energy: -99.026160
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -22.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -314.513421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.513421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.513421 (E_RNA)
where:
Base-Base interactions energy: -216.327
where: short stacking energy: -95.562
Base-Backbone interact. energy: -0.026
local terms energy: -98.159894
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -21.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -302.112318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.112318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.112318 (E_RNA)
where:
Base-Base interactions energy: -212.187
where: short stacking energy: -92.059
Base-Backbone interact. energy: -0.739
local terms energy: -89.186163
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -22.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -261.072874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.072874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.072874 (E_RNA)
where:
Base-Base interactions energy: -182.506
where: short stacking energy: -76.912
Base-Backbone interact. energy: -0.346
local terms energy: -78.220082
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -237.279015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.279015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.279015 (E_RNA)
where:
Base-Base interactions energy: -154.077
where: short stacking energy: -77.939
Base-Backbone interact. energy: -0.635
local terms energy: -82.566665
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -244.094589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.094589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.094589 (E_RNA)
where:
Base-Base interactions energy: -161.839
where: short stacking energy: -85.409
Base-Backbone interact. energy: -0.093
local terms energy: -82.162505
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -11.596
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: 8, replica: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -160.159345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.159345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.159345 (E_RNA)
where:
Base-Base interactions energy: -82.608
where: short stacking energy: -51.189
Base-Backbone interact. energy: -0.371
local terms energy: -77.179841
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -11.557
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: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -110.861695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.861695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.861695 (E_RNA)
where:
Base-Base interactions energy: -47.248
where: short stacking energy: -33.587
Base-Backbone interact. energy: -0.427
local terms energy: -63.186491
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -8.031
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: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -153.648724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.648724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.648724 (E_RNA)
where:
Base-Base interactions energy: -87.930
where: short stacking energy: -44.272
Base-Backbone interact. energy: -0.565
local terms energy: -65.154469
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -346.002665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.002665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.002665 (E_RNA)
where:
Base-Base interactions energy: -245.910
where: short stacking energy: -89.874
Base-Backbone interact. energy: -0.160
local terms energy: -99.932990
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -23.193
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -22.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -353.264707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.264707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.264707 (E_RNA)
where:
Base-Base interactions energy: -255.413
where: short stacking energy: -96.099
Base-Backbone interact. energy: -0.108
local terms energy: -97.743589
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -19.431
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: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -326.761531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.761531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.761531 (E_RNA)
where:
Base-Base interactions energy: -228.793
where: short stacking energy: -94.716
Base-Backbone interact. energy: -0.116
local terms energy: -97.852615
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -22.962
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -24.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -279.971301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.971301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.971301 (E_RNA)
where:
Base-Base interactions energy: -190.815
where: short stacking energy: -87.295
Base-Backbone interact. energy: -0.136
local terms energy: -89.020382
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -24.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -276.899285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.899285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.899285 (E_RNA)
where:
Base-Base interactions energy: -196.279
where: short stacking energy: -84.261
Base-Backbone interact. energy: -0.403
local terms energy: -80.217428
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -14.822
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: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -244.349143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.349143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.349143 (E_RNA)
where:
Base-Base interactions energy: -163.926
where: short stacking energy: -75.024
Base-Backbone interact. energy: -0.962
local terms energy: -79.461385
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -12.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -249.124795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.124795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.124795 (E_RNA)
where:
Base-Base interactions energy: -167.805
where: short stacking energy: -78.798
Base-Backbone interact. energy: -0.299
local terms energy: -81.020940
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -22.568
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -19.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -128.658399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.658399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.658399 (E_RNA)
where:
Base-Base interactions energy: -46.513
where: short stacking energy: -45.546
Base-Backbone interact. energy: -0.312
local terms energy: -81.833061
where:
bonds (distance) C4'-P energy: -21.545
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -116.092910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.092910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.092910 (E_RNA)
where:
Base-Base interactions energy: -59.797
where: short stacking energy: -33.251
Base-Backbone interact. energy: -0.178
local terms energy: -56.117489
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -170.789238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.789238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.789238 (E_RNA)
where:
Base-Base interactions energy: -90.953
where: short stacking energy: -55.531
Base-Backbone interact. energy: -0.150
local terms energy: -79.685597
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -354.042089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.042089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.042089 (E_RNA)
where:
Base-Base interactions energy: -257.480
where: short stacking energy: -96.256
Base-Backbone interact. energy: -0.588
local terms energy: -95.974384
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -20.216
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -22.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -348.873769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.873769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.873769 (E_RNA)
where:
Base-Base interactions energy: -245.789
where: short stacking energy: -90.950
Base-Backbone interact. energy: -0.229
local terms energy: -102.855968
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -22.245
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: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -317.712590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.712590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.712590 (E_RNA)
where:
Base-Base interactions energy: -216.777
where: short stacking energy: -95.742
Base-Backbone interact. energy: -0.208
local terms energy: -100.726655
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -26.009
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: 4, replica: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -285.714534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.714534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.714534 (E_RNA)
where:
Base-Base interactions energy: -189.971
where: short stacking energy: -92.533
Base-Backbone interact. energy: 0.412
local terms energy: -96.156145
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -25.878
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: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -280.914608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.914608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.914608 (E_RNA)
where:
Base-Base interactions energy: -196.877
where: short stacking energy: -88.731
Base-Backbone interact. energy: -0.272
local terms energy: -83.765822
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -251.792569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.792569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.792569 (E_RNA)
where:
Base-Base interactions energy: -166.920
where: short stacking energy: -79.318
Base-Backbone interact. energy: 2.161
local terms energy: -87.032987
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -255.256817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.256817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.256817 (E_RNA)
where:
Base-Base interactions energy: -164.548
where: short stacking energy: -75.206
Base-Backbone interact. energy: -0.123
local terms energy: -90.585247
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -21.279
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -113.179073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.179073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.179073 (E_RNA)
where:
Base-Base interactions energy: -41.893
where: short stacking energy: -32.958
Base-Backbone interact. energy: -0.153
local terms energy: -71.132928
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -209.653186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.653186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.653186 (E_RNA)
where:
Base-Base interactions energy: -141.081
where: short stacking energy: -48.437
Base-Backbone interact. energy: 1.517
local terms energy: -70.088725
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -11.785
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: 64
Temperature: 1.350000
Total energy: -99.815460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.815460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.815460 (E_RNA)
where:
Base-Base interactions energy: -30.702
where: short stacking energy: -30.702
Base-Backbone interact. energy: -0.236
local terms energy: -68.878171
where:
bonds (distance) C4'-P energy: -23.895
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -349.138644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.138644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.138644 (E_RNA)
where:
Base-Base interactions energy: -254.810
where: short stacking energy: -93.536
Base-Backbone interact. energy: -0.050
local terms energy: -94.278557
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -13.562
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: 2, replica: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -342.932665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.932665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.932665 (E_RNA)
where:
Base-Base interactions energy: -239.629
where: short stacking energy: -100.062
Base-Backbone interact. energy: -0.522
local terms energy: -102.782243
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -22.780
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -23.784
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: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -317.390196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.390196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.390196 (E_RNA)
where:
Base-Base interactions energy: -223.594
where: short stacking energy: -90.096
Base-Backbone interact. energy: -0.166
local terms energy: -93.630402
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -24.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -284.967683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.967683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.967683 (E_RNA)
where:
Base-Base interactions energy: -202.853
where: short stacking energy: -79.070
Base-Backbone interact. energy: -0.422
local terms energy: -81.692691
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -278.247619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.247619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.247619 (E_RNA)
where:
Base-Base interactions energy: -180.192
where: short stacking energy: -80.494
Base-Backbone interact. energy: -0.478
local terms energy: -97.578436
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -23.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -245.491534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.491534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.491534 (E_RNA)
where:
Base-Base interactions energy: -166.775
where: short stacking energy: -82.653
Base-Backbone interact. energy: 0.248
local terms energy: -78.964061
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -238.421262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.421262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.421262 (E_RNA)
where:
Base-Base interactions energy: -158.136
where: short stacking energy: -72.064
Base-Backbone interact. energy: -0.073
local terms energy: -80.211562
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -16.269
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: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -208.739083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.739083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.739083 (E_RNA)
where:
Base-Base interactions energy: -143.320
where: short stacking energy: -57.241
Base-Backbone interact. energy: -0.518
local terms energy: -64.901006
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -106.835697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.835697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.835697 (E_RNA)
where:
Base-Base interactions energy: -46.722
where: short stacking energy: -46.049
Base-Backbone interact. energy: -0.345
local terms energy: -59.768557
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -125.992466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.992466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.992466 (E_RNA)
where:
Base-Base interactions energy: -69.427
where: short stacking energy: -29.762
Base-Backbone interact. energy: -0.307
local terms energy: -56.257698
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -360.708900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.708900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.708900 (E_RNA)
where:
Base-Base interactions energy: -246.850
where: short stacking energy: -107.423
Base-Backbone interact. energy: -1.570
local terms energy: -112.288673
where:
bonds (distance) C4'-P energy: -22.696
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -32.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -353.671900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.671900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.671900 (E_RNA)
where:
Base-Base interactions energy: -249.749
where: short stacking energy: -96.969
Base-Backbone interact. energy: -0.287
local terms energy: -103.636551
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -25.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -325.260692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.260692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.260692 (E_RNA)
where:
Base-Base interactions energy: -225.776
where: short stacking energy: -94.223
Base-Backbone interact. energy: -0.210
local terms energy: -99.274361
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -20.328
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -274.190078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.190078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.190078 (E_RNA)
where:
Base-Base interactions energy: -189.699
where: short stacking energy: -74.848
Base-Backbone interact. energy: -1.530
local terms energy: -82.961859
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -13.560
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: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -273.276352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.276352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.276352 (E_RNA)
where:
Base-Base interactions energy: -182.323
where: short stacking energy: -78.349
Base-Backbone interact. energy: -1.602
local terms energy: -89.351794
where:
bonds (distance) C4'-P energy: -20.844
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -18.120
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: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -235.375710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.375710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.375710 (E_RNA)
where:
Base-Base interactions energy: -147.484
where: short stacking energy: -66.658
Base-Backbone interact. energy: -0.062
local terms energy: -87.829156
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -22.370
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -13.075
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: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -236.105987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.105987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.105987 (E_RNA)
where:
Base-Base interactions energy: -153.232
where: short stacking energy: -57.697
Base-Backbone interact. energy: -0.001
local terms energy: -82.872529
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -11.513
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: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -167.405136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.405136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.405136 (E_RNA)
where:
Base-Base interactions energy: -89.820
where: short stacking energy: -42.529
Base-Backbone interact. energy: 0.148
local terms energy: -77.733486
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -158.553728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.553728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.553728 (E_RNA)
where:
Base-Base interactions energy: -85.620
where: short stacking energy: -47.381
Base-Backbone interact. energy: -0.088
local terms energy: -72.845203
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -100.451538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.451538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.451538 (E_RNA)
where:
Base-Base interactions energy: -32.860
where: short stacking energy: -31.917
Base-Backbone interact. energy: 0.539
local terms energy: -68.130397
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: 1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -350.987372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.987372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.987372 (E_RNA)
where:
Base-Base interactions energy: -244.297
where: short stacking energy: -103.829
Base-Backbone interact. energy: -0.295
local terms energy: -106.395773
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -25.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -349.469446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.469446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.469446 (E_RNA)
where:
Base-Base interactions energy: -243.052
where: short stacking energy: -83.476
Base-Backbone interact. energy: -0.308
local terms energy: -106.109507
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -23.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -314.910141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.910141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.910141 (E_RNA)
where:
Base-Base interactions energy: -219.398
where: short stacking energy: -101.116
Base-Backbone interact. energy: 3.195
local terms energy: -98.707221
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -22.971
flat angles P-C4'-P energy: -13.745
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: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -268.335061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.335061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.335061 (E_RNA)
where:
Base-Base interactions energy: -174.615
where: short stacking energy: -77.804
Base-Backbone interact. energy: -0.196
local terms energy: -93.523879
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -16.233
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -284.301077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.301077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.301077 (E_RNA)
where:
Base-Base interactions energy: -204.550
where: short stacking energy: -87.537
Base-Backbone interact. energy: 0.693
local terms energy: -80.443276
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -16.203
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: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -231.580399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.580399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.580399 (E_RNA)
where:
Base-Base interactions energy: -143.782
where: short stacking energy: -78.188
Base-Backbone interact. energy: -0.074
local terms energy: -87.724430
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -238.127431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.127431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.127431 (E_RNA)
where:
Base-Base interactions energy: -153.213
where: short stacking energy: -66.449
Base-Backbone interact. energy: -0.031
local terms energy: -84.883299
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -16.342
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: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -196.945521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.945521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.945521 (E_RNA)
where:
Base-Base interactions energy: -132.062
where: short stacking energy: -61.728
Base-Backbone interact. energy: -0.015
local terms energy: -64.868644
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -10.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -164.120884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.120884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.120884 (E_RNA)
where:
Base-Base interactions energy: -106.229
where: short stacking energy: -40.880
Base-Backbone interact. energy: -0.330
local terms energy: -57.561788
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: 1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -112.757699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.757699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.757699 (E_RNA)
where:
Base-Base interactions energy: -44.508
where: short stacking energy: -40.311
Base-Backbone interact. energy: -0.364
local terms energy: -67.886520
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: 0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -357.058303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.058303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.058303 (E_RNA)
where:
Base-Base interactions energy: -258.893
where: short stacking energy: -90.958
Base-Backbone interact. energy: 1.527
local terms energy: -99.691965
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -18.035
tors. eta vs tors. theta energy: -19.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -354.236487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.236487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.236487 (E_RNA)
where:
Base-Base interactions energy: -247.737
where: short stacking energy: -105.995
Base-Backbone interact. energy: -0.001
local terms energy: -106.498970
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -23.812
flat angles C4'-P-C4' energy: -20.545
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -27.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -277.663525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.663525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.663525 (E_RNA)
where:
Base-Base interactions energy: -178.821
where: short stacking energy: -86.326
Base-Backbone interact. energy: -1.314
local terms energy: -97.528231
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -304.643628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.643628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.643628 (E_RNA)
where:
Base-Base interactions energy: -207.627
where: short stacking energy: -87.359
Base-Backbone interact. energy: 0.683
local terms energy: -97.700162
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -22.810
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -251.059500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.059500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.059500 (E_RNA)
where:
Base-Base interactions energy: -165.796
where: short stacking energy: -78.230
Base-Backbone interact. energy: 0.676
local terms energy: -85.939175
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -17.921
tors. eta vs tors. theta energy: -18.270
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: 68
Temperature: 1.150000
Total energy: -259.683605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.683605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.683605 (E_RNA)
where:
Base-Base interactions energy: -184.461
where: short stacking energy: -85.298
Base-Backbone interact. energy: -0.245
local terms energy: -74.978051
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -12.800
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: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -214.534836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.534836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.534836 (E_RNA)
where:
Base-Base interactions energy: -143.430
where: short stacking energy: -63.347
Base-Backbone interact. energy: 0.013
local terms energy: -71.118067
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -243.872258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.872258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.872258 (E_RNA)
where:
Base-Base interactions energy: -169.976
where: short stacking energy: -83.112
Base-Backbone interact. energy: -0.625
local terms energy: -73.271716
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -19.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -159.912491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.912491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.912491 (E_RNA)
where:
Base-Base interactions energy: -93.649
where: short stacking energy: -47.286
Base-Backbone interact. energy: -0.329
local terms energy: -65.934901
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -7.751
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: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -158.792043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.792043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.792043 (E_RNA)
where:
Base-Base interactions energy: -97.700
where: short stacking energy: -45.124
Base-Backbone interact. energy: -0.111
local terms energy: -60.981644
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -2.616
tors. eta vs tors. theta energy: -12.180
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: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -356.444138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.444138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.444138 (E_RNA)
where:
Base-Base interactions energy: -249.652
where: short stacking energy: -92.381
Base-Backbone interact. energy: -0.161
local terms energy: -106.631212
where:
bonds (distance) C4'-P energy: -22.539
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -24.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -342.687041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.687041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.687041 (E_RNA)
where:
Base-Base interactions energy: -232.340
where: short stacking energy: -99.110
Base-Backbone interact. energy: -0.293
local terms energy: -110.054797
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -22.768
flat angles C4'-P-C4' energy: -22.139
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -27.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -282.419874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.419874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.419874 (E_RNA)
where:
Base-Base interactions energy: -184.897
where: short stacking energy: -95.410
Base-Backbone interact. energy: -0.805
local terms energy: -96.716963
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -21.448
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -25.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -317.264928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.264928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.264928 (E_RNA)
where:
Base-Base interactions energy: -222.959
where: short stacking energy: -98.927
Base-Backbone interact. energy: -0.080
local terms energy: -94.226797
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -26.148
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: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -251.377097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.377097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.377097 (E_RNA)
where:
Base-Base interactions energy: -162.463
where: short stacking energy: -70.977
Base-Backbone interact. energy: -0.597
local terms energy: -88.316296
where:
bonds (distance) C4'-P energy: -22.199
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -12.679
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: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -263.108477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.108477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.108477 (E_RNA)
where:
Base-Base interactions energy: -180.822
where: short stacking energy: -81.251
Base-Backbone interact. energy: -0.111
local terms energy: -82.175619
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -16.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -218.958556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.958556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.958556 (E_RNA)
where:
Base-Base interactions energy: -144.783
where: short stacking energy: -65.490
Base-Backbone interact. energy: -0.674
local terms energy: -73.501436
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -13.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -304.394160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.394160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.394160 (E_RNA)
where:
Base-Base interactions energy: -211.099
where: short stacking energy: -80.625
Base-Backbone interact. energy: -0.445
local terms energy: -92.849822
where:
bonds (distance) C4'-P energy: -21.533
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -20.094
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: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -177.330756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.330756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.330756 (E_RNA)
where:
Base-Base interactions energy: -103.720
where: short stacking energy: -63.122
Base-Backbone interact. energy: 0.043
local terms energy: -73.653738
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -5.045
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -155.621768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.621768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.621768 (E_RNA)
where:
Base-Base interactions energy: -88.123
where: short stacking energy: -49.599
Base-Backbone interact. energy: -0.306
local terms energy: -67.192274
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -352.484773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.484773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.484773 (E_RNA)
where:
Base-Base interactions energy: -252.196
where: short stacking energy: -108.198
Base-Backbone interact. energy: -0.280
local terms energy: -100.009362
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -29.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -352.522826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.522826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.522826 (E_RNA)
where:
Base-Base interactions energy: -247.492
where: short stacking energy: -92.102
Base-Backbone interact. energy: -0.084
local terms energy: -104.947129
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -24.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -320.409970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.409970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.409970 (E_RNA)
where:
Base-Base interactions energy: -218.248
where: short stacking energy: -95.217
Base-Backbone interact. energy: 1.273
local terms energy: -103.434181
where:
bonds (distance) C4'-P energy: -21.478
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -15.661
tors. eta vs tors. theta energy: -25.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -264.326700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.326700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.326700 (E_RNA)
where:
Base-Base interactions energy: -170.210
where: short stacking energy: -81.853
Base-Backbone interact. energy: -1.267
local terms energy: -92.849806
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -24.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -262.876487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.876487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.876487 (E_RNA)
where:
Base-Base interactions energy: -183.865
where: short stacking energy: -82.199
Base-Backbone interact. energy: -0.801
local terms energy: -78.210374
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -12.679
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: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -250.859582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.859582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.859582 (E_RNA)
where:
Base-Base interactions energy: -160.801
where: short stacking energy: -70.709
Base-Backbone interact. energy: -0.317
local terms energy: -89.741895
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -323.342795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.342795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.342795 (E_RNA)
where:
Base-Base interactions energy: -229.134
where: short stacking energy: -81.583
Base-Backbone interact. energy: 0.027
local terms energy: -94.236120
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -24.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -236.210808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.210808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.210808 (E_RNA)
where:
Base-Base interactions energy: -154.137
where: short stacking energy: -71.902
Base-Backbone interact. energy: -0.516
local terms energy: -81.557044
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -166.617265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.617265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.617265 (E_RNA)
where:
Base-Base interactions energy: -87.551
where: short stacking energy: -50.790
Base-Backbone interact. energy: -0.220
local terms energy: -78.846357
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -180.126856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.126856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.126856 (E_RNA)
where:
Base-Base interactions energy: -110.840
where: short stacking energy: -48.100
Base-Backbone interact. energy: -0.907
local terms energy: -68.379418
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -356.944443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.944443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.944443 (E_RNA)
where:
Base-Base interactions energy: -241.406
where: short stacking energy: -102.167
Base-Backbone interact. energy: -0.343
local terms energy: -115.195023
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -21.591
flat angles C4'-P-C4' energy: -23.517
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -28.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -335.329007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.329007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.329007 (E_RNA)
where:
Base-Base interactions energy: -238.096
where: short stacking energy: -99.527
Base-Backbone interact. energy: -0.007
local terms energy: -97.226659
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -360.642470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.642470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.642470 (E_RNA)
where:
Base-Base interactions energy: -258.295
where: short stacking energy: -98.150
Base-Backbone interact. energy: -0.108
local terms energy: -102.240228
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -24.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -260.074603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.074603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.074603 (E_RNA)
where:
Base-Base interactions energy: -161.356
where: short stacking energy: -89.885
Base-Backbone interact. energy: -0.383
local terms energy: -98.335139
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -21.312
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -261.065819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.065819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.065819 (E_RNA)
where:
Base-Base interactions energy: -183.434
where: short stacking energy: -84.896
Base-Backbone interact. energy: -0.083
local terms energy: -77.549076
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -327.173911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.173911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.173911 (E_RNA)
where:
Base-Base interactions energy: -236.210
where: short stacking energy: -88.744
Base-Backbone interact. energy: -0.225
local terms energy: -90.738262
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -28.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -232.994949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.994949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.994949 (E_RNA)
where:
Base-Base interactions energy: -143.611
where: short stacking energy: -75.655
Base-Backbone interact. energy: -0.199
local terms energy: -89.184811
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -229.145804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.145804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.145804 (E_RNA)
where:
Base-Base interactions energy: -146.321
where: short stacking energy: -61.032
Base-Backbone interact. energy: -0.962
local terms energy: -81.863290
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -21.043
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -173.054129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.054129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.054129 (E_RNA)
where:
Base-Base interactions energy: -103.055
where: short stacking energy: -55.821
Base-Backbone interact. energy: 0.488
local terms energy: -70.486527
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -9.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -161.487502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.487502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.487502 (E_RNA)
where:
Base-Base interactions energy: -105.894
where: short stacking energy: -53.490
Base-Backbone interact. energy: -0.183
local terms energy: -55.410768
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: 0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -351.561170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.561170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.561170 (E_RNA)
where:
Base-Base interactions energy: -243.016
where: short stacking energy: -107.804
Base-Backbone interact. energy: -0.070
local terms energy: -108.474966
where:
bonds (distance) C4'-P energy: -20.608
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -21.405
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -29.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -330.604953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.604953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.604953 (E_RNA)
where:
Base-Base interactions energy: -226.429
where: short stacking energy: -100.213
Base-Backbone interact. energy: -0.001
local terms energy: -104.174499
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -20.635
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -26.031
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: 72
Temperature: 1.000000
Total energy: -343.877172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.877172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.877172 (E_RNA)
where:
Base-Base interactions energy: -248.862
where: short stacking energy: -83.727
Base-Backbone interact. energy: -0.094
local terms energy: -94.921488
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -21.033
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: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -279.369029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.369029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.369029 (E_RNA)
where:
Base-Base interactions energy: -184.365
where: short stacking energy: -83.448
Base-Backbone interact. energy: -0.046
local terms energy: -94.958526
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: -22.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -341.825881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.825881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.825881 (E_RNA)
where:
Base-Base interactions energy: -244.211
where: short stacking energy: -98.298
Base-Backbone interact. energy: -0.313
local terms energy: -97.301820
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -25.072
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: 72
Temperature: 1.150000
Total energy: -261.381899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.381899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.381899 (E_RNA)
where:
Base-Base interactions energy: -186.756
where: short stacking energy: -81.899
Base-Backbone interact. energy: -1.757
local terms energy: -72.869023
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -14.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -208.643379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.643379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.643379 (E_RNA)
where:
Base-Base interactions energy: -126.778
where: short stacking energy: -55.858
Base-Backbone interact. energy: 0.767
local terms energy: -82.631718
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -8.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -216.079279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.079279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.079279 (E_RNA)
where:
Base-Base interactions energy: -134.979
where: short stacking energy: -72.585
Base-Backbone interact. energy: -0.007
local terms energy: -81.092905
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -167.970931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.970931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.970931 (E_RNA)
where:
Base-Base interactions energy: -90.885
where: short stacking energy: -47.298
Base-Backbone interact. energy: 0.507
local terms energy: -77.592096
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -22.333
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -154.250424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.250424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.250424 (E_RNA)
where:
Base-Base interactions energy: -86.794
where: short stacking energy: -43.183
Base-Backbone interact. energy: -0.743
local terms energy: -66.713340
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -347.851388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.851388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.851388 (E_RNA)
where:
Base-Base interactions energy: -242.724
where: short stacking energy: -99.040
Base-Backbone interact. energy: -0.068
local terms energy: -105.059080
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -25.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -331.761593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.761593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.761593 (E_RNA)
where:
Base-Base interactions energy: -231.174
where: short stacking energy: -103.219
Base-Backbone interact. energy: 0.761
local terms energy: -101.348337
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -25.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -355.272007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.272007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.272007 (E_RNA)
where:
Base-Base interactions energy: -255.295
where: short stacking energy: -80.639
Base-Backbone interact. energy: -0.855
local terms energy: -99.121523
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -341.077731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.077731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.077731 (E_RNA)
where:
Base-Base interactions energy: -255.540
where: short stacking energy: -101.576
Base-Backbone interact. energy: -0.120
local terms energy: -85.417670
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -28.802
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: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -237.731382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.731382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.731382 (E_RNA)
where:
Base-Base interactions energy: -150.353
where: short stacking energy: -84.958
Base-Backbone interact. energy: -0.272
local terms energy: -87.106209
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -24.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -255.079350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.079350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.079350 (E_RNA)
where:
Base-Base interactions energy: -171.487
where: short stacking energy: -72.481
Base-Backbone interact. energy: -0.358
local terms energy: -83.234232
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -177.425808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.425808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.425808 (E_RNA)
where:
Base-Base interactions energy: -100.830
where: short stacking energy: -64.303
Base-Backbone interact. energy: -0.188
local terms energy: -76.407648
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -207.171487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.171487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.171487 (E_RNA)
where:
Base-Base interactions energy: -129.015
where: short stacking energy: -61.622
Base-Backbone interact. energy: -0.054
local terms energy: -78.102692
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -12.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -166.843559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.843559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.843559 (E_RNA)
where:
Base-Base interactions energy: -87.253
where: short stacking energy: -44.338
Base-Backbone interact. energy: -0.310
local terms energy: -79.281063
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -190.450548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.450548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.450548 (E_RNA)
where:
Base-Base interactions energy: -113.214
where: short stacking energy: -48.626
Base-Backbone interact. energy: -0.653
local terms energy: -76.583362
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -354.710136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.710136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.710136 (E_RNA)
where:
Base-Base interactions energy: -248.190
where: short stacking energy: -100.106
Base-Backbone interact. energy: -0.261
local terms energy: -106.259297
where:
bonds (distance) C4'-P energy: -23.419
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -24.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -309.240451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.240451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.240451 (E_RNA)
where:
Base-Base interactions energy: -213.357
where: short stacking energy: -92.179
Base-Backbone interact. energy: -1.012
local terms energy: -94.871181
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -351.641072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.641072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.641072 (E_RNA)
where:
Base-Base interactions energy: -260.058
where: short stacking energy: -96.637
Base-Backbone interact. energy: -0.877
local terms energy: -90.705991
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: -21.639
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: 74
Temperature: 1.050000
Total energy: -337.854969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.854969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.854969 (E_RNA)
where:
Base-Base interactions energy: -240.534
where: short stacking energy: -89.862
Base-Backbone interact. energy: -0.725
local terms energy: -96.595762
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -258.439232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.439232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.439232 (E_RNA)
where:
Base-Base interactions energy: -177.959
where: short stacking energy: -83.366
Base-Backbone interact. energy: -0.231
local terms energy: -80.249750
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -22.926
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -16.849
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: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -230.205131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.205131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.205131 (E_RNA)
where:
Base-Base interactions energy: -146.097
where: short stacking energy: -68.576
Base-Backbone interact. energy: -0.302
local terms energy: -83.806511
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -176.943784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.943784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.943784 (E_RNA)
where:
Base-Base interactions energy: -113.935
where: short stacking energy: -61.498
Base-Backbone interact. energy: -0.131
local terms energy: -62.877205
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -183.592267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.592267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.592267 (E_RNA)
where:
Base-Base interactions energy: -110.343
where: short stacking energy: -58.009
Base-Backbone interact. energy: -0.000
local terms energy: -73.249196
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -9.246
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -170.967042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.967042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.967042 (E_RNA)
where:
Base-Base interactions energy: -95.347
where: short stacking energy: -50.793
Base-Backbone interact. energy: -0.171
local terms energy: -75.448936
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -20.571
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -9.705
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: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -151.427719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.427719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.427719 (E_RNA)
where:
Base-Base interactions energy: -78.648
where: short stacking energy: -29.328
Base-Backbone interact. energy: 0.522
local terms energy: -73.301557
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -350.951771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.951771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.951771 (E_RNA)
where:
Base-Base interactions energy: -254.782
where: short stacking energy: -102.120
Base-Backbone interact. energy: 0.296
local terms energy: -96.465726
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -353.166403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.166403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.166403 (E_RNA)
where:
Base-Base interactions energy: -248.393
where: short stacking energy: -91.873
Base-Backbone interact. energy: -0.202
local terms energy: -104.570990
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: -22.624
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: 75
Temperature: 1.000000
Total energy: -310.975713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.975713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.975713 (E_RNA)
where:
Base-Base interactions energy: -211.013
where: short stacking energy: -85.077
Base-Backbone interact. energy: -1.009
local terms energy: -98.953379
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -25.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -344.025938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.025938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.025938 (E_RNA)
where:
Base-Base interactions energy: -246.376
where: short stacking energy: -98.888
Base-Backbone interact. energy: -0.092
local terms energy: -97.558121
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -21.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -278.731845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.731845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.731845 (E_RNA)
where:
Base-Base interactions energy: -196.571
where: short stacking energy: -79.817
Base-Backbone interact. energy: -0.252
local terms energy: -81.908496
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -243.184025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.184025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.184025 (E_RNA)
where:
Base-Base interactions energy: -150.986
where: short stacking energy: -74.374
Base-Backbone interact. energy: -0.588
local terms energy: -91.609878
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -20.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -160.450366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.450366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.450366 (E_RNA)
where:
Base-Base interactions energy: -91.561
where: short stacking energy: -51.915
Base-Backbone interact. energy: -0.491
local terms energy: -68.398248
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -163.025726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.025726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.025726 (E_RNA)
where:
Base-Base interactions energy: -95.418
where: short stacking energy: -56.677
Base-Backbone interact. energy: -0.270
local terms energy: -67.337979
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -22.945
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -202.630161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.630161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.630161 (E_RNA)
where:
Base-Base interactions energy: -127.790
where: short stacking energy: -60.651
Base-Backbone interact. energy: -0.117
local terms energy: -74.723211
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -11.401
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: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -155.642167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.642167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.642167 (E_RNA)
where:
Base-Base interactions energy: -92.887
where: short stacking energy: -50.843
Base-Backbone interact. energy: -0.388
local terms energy: -62.366939
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -353.190346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.190346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.190346 (E_RNA)
where:
Base-Base interactions energy: -254.213
where: short stacking energy: -92.768
Base-Backbone interact. energy: -0.567
local terms energy: -98.410941
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -336.898060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.898060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.898060 (E_RNA)
where:
Base-Base interactions energy: -241.832
where: short stacking energy: -96.079
Base-Backbone interact. energy: -0.280
local terms energy: -94.785834
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -19.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -338.206410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.206410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.206410 (E_RNA)
where:
Base-Base interactions energy: -239.170
where: short stacking energy: -89.595
Base-Backbone interact. energy: -0.243
local terms energy: -98.793392
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -23.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -310.475172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.475172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.475172 (E_RNA)
where:
Base-Base interactions energy: -207.926
where: short stacking energy: -89.805
Base-Backbone interact. energy: -0.104
local terms energy: -102.444889
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -23.315
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -27.677
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: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -268.228422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.228422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.228422 (E_RNA)
where:
Base-Base interactions energy: -176.733
where: short stacking energy: -78.060
Base-Backbone interact. energy: 2.049
local terms energy: -93.544943
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -22.638
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: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -249.030399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.030399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.030399 (E_RNA)
where:
Base-Base interactions energy: -165.192
where: short stacking energy: -82.405
Base-Backbone interact. energy: -0.181
local terms energy: -83.657565
where:
bonds (distance) C4'-P energy: -20.999
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -189.864583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.864583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.864583 (E_RNA)
where:
Base-Base interactions energy: -114.092
where: short stacking energy: -59.772
Base-Backbone interact. energy: -0.053
local terms energy: -75.720298
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -10.194
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: 6
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -179.992019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.992019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.992019 (E_RNA)
where:
Base-Base interactions energy: -109.600
where: short stacking energy: -58.790
Base-Backbone interact. energy: 1.255
local terms energy: -71.646719
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -179.968704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.968704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.968704 (E_RNA)
where:
Base-Base interactions energy: -115.419
where: short stacking energy: -54.468
Base-Backbone interact. energy: -0.797
local terms energy: -63.753263
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -169.597563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.597563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.597563 (E_RNA)
where:
Base-Base interactions energy: -100.429
where: short stacking energy: -48.344
Base-Backbone interact. energy: -0.155
local terms energy: -69.013649
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -7.317
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: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -347.749091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.749091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.749091 (E_RNA)
where:
Base-Base interactions energy: -249.156
where: short stacking energy: -97.554
Base-Backbone interact. energy: -0.505
local terms energy: -98.087653
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -342.528187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.528187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.528187 (E_RNA)
where:
Base-Base interactions energy: -242.836
where: short stacking energy: -98.600
Base-Backbone interact. energy: -0.722
local terms energy: -98.970685
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -25.090
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: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -350.952671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.952671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.952671 (E_RNA)
where:
Base-Base interactions energy: -252.269
where: short stacking energy: -86.249
Base-Backbone interact. energy: -1.028
local terms energy: -97.655641
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -21.992
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: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -308.082202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.082202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.082202 (E_RNA)
where:
Base-Base interactions energy: -215.656
where: short stacking energy: -96.581
Base-Backbone interact. energy: -0.104
local terms energy: -92.322713
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -24.576
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -23.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -270.151135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.151135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.151135 (E_RNA)
where:
Base-Base interactions energy: -174.501
where: short stacking energy: -75.890
Base-Backbone interact. energy: -0.230
local terms energy: -95.419920
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -18.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -243.108850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.108850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.108850 (E_RNA)
where:
Base-Base interactions energy: -152.528
where: short stacking energy: -72.094
Base-Backbone interact. energy: -0.229
local terms energy: -90.352604
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -177.955798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.955798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.955798 (E_RNA)
where:
Base-Base interactions energy: -103.971
where: short stacking energy: -50.809
Base-Backbone interact. energy: -0.467
local terms energy: -73.518002
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -11.354
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: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -173.361014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.361014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.361014 (E_RNA)
where:
Base-Base interactions energy: -109.368
where: short stacking energy: -53.403
Base-Backbone interact. energy: -0.300
local terms energy: -63.693068
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -9.283
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -154.849914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.849914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.849914 (E_RNA)
where:
Base-Base interactions energy: -85.981
where: short stacking energy: -44.266
Base-Backbone interact. energy: -1.175
local terms energy: -67.694560
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -168.585146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.585146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.585146 (E_RNA)
where:
Base-Base interactions energy: -103.890
where: short stacking energy: -47.898
Base-Backbone interact. energy: -0.385
local terms energy: -64.309682
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -356.274324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.274324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.274324 (E_RNA)
where:
Base-Base interactions energy: -253.464
where: short stacking energy: -97.852
Base-Backbone interact. energy: -0.248
local terms energy: -102.562928
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -17.481
tors. eta vs tors. theta energy: -23.927
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: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -338.273799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.273799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.273799 (E_RNA)
where:
Base-Base interactions energy: -240.391
where: short stacking energy: -94.654
Base-Backbone interact. energy: -0.005
local terms energy: -97.877878
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -22.811
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: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -347.235228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.235228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.235228 (E_RNA)
where:
Base-Base interactions energy: -251.830
where: short stacking energy: -91.483
Base-Backbone interact. energy: -0.262
local terms energy: -95.143655
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -16.923
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: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -311.095347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.095347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.095347 (E_RNA)
where:
Base-Base interactions energy: -218.922
where: short stacking energy: -93.011
Base-Backbone interact. energy: 0.611
local terms energy: -92.783928
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -3.646
tors. eta vs tors. theta energy: -27.804
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: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -250.992489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.992489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.992489 (E_RNA)
where:
Base-Base interactions energy: -176.850
where: short stacking energy: -79.927
Base-Backbone interact. energy: -0.063
local terms energy: -74.079975
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -21.660
flat angles P-C4'-P energy: -8.862
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: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -235.294554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.294554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.294554 (E_RNA)
where:
Base-Base interactions energy: -153.058
where: short stacking energy: -82.469
Base-Backbone interact. energy: -0.212
local terms energy: -82.024964
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -22.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -216.097454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.097454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.097454 (E_RNA)
where:
Base-Base interactions energy: -132.140
where: short stacking energy: -70.548
Base-Backbone interact. energy: -0.031
local terms energy: -83.926597
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -15.977
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: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -170.887060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.887060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.887060 (E_RNA)
where:
Base-Base interactions energy: -92.622
where: short stacking energy: -51.278
Base-Backbone interact. energy: -0.310
local terms energy: -77.955384
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -9.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -158.259600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.259600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.259600 (E_RNA)
where:
Base-Base interactions energy: -103.097
where: short stacking energy: -40.724
Base-Backbone interact. energy: -0.033
local terms energy: -55.128845
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -0.366
tors. eta vs tors. theta energy: -0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -170.612068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.612068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.612068 (E_RNA)
where:
Base-Base interactions energy: -112.484
where: short stacking energy: -53.545
Base-Backbone interact. energy: -0.528
local terms energy: -57.600223
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -9.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -350.917871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.917871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.917871 (E_RNA)
where:
Base-Base interactions energy: -254.043
where: short stacking energy: -93.443
Base-Backbone interact. energy: -0.653
local terms energy: -96.221612
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -23.171
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: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -344.553543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.553543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.553543 (E_RNA)
where:
Base-Base interactions energy: -252.447
where: short stacking energy: -92.470
Base-Backbone interact. energy: 0.489
local terms energy: -92.595607
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -350.733456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.733456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.733456 (E_RNA)
where:
Base-Base interactions energy: -247.783
where: short stacking energy: -97.133
Base-Backbone interact. energy: -0.729
local terms energy: -102.221136
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -27.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -318.599260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.599260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.599260 (E_RNA)
where:
Base-Base interactions energy: -212.175
where: short stacking energy: -99.736
Base-Backbone interact. energy: -0.072
local terms energy: -106.352405
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -24.696
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -27.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -245.525333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.525333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.525333 (E_RNA)
where:
Base-Base interactions energy: -167.320
where: short stacking energy: -72.547
Base-Backbone interact. energy: -2.489
local terms energy: -75.715582
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -10.627
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: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -227.902426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.902426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.902426 (E_RNA)
where:
Base-Base interactions energy: -140.961
where: short stacking energy: -77.318
Base-Backbone interact. energy: 0.806
local terms energy: -87.747207
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -232.487520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.487520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.487520 (E_RNA)
where:
Base-Base interactions energy: -154.280
where: short stacking energy: -69.706
Base-Backbone interact. energy: -0.300
local terms energy: -77.907697
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -15.035
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: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -170.153298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.153298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.153298 (E_RNA)
where:
Base-Base interactions energy: -90.061
where: short stacking energy: -51.924
Base-Backbone interact. energy: -0.161
local terms energy: -79.931515
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -23.835
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -162.501955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.501955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.501955 (E_RNA)
where:
Base-Base interactions energy: -91.627
where: short stacking energy: -46.140
Base-Backbone interact. energy: -0.484
local terms energy: -70.391602
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -10.858
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: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -162.344152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.344152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.344152 (E_RNA)
where:
Base-Base interactions energy: -97.796
where: short stacking energy: -47.686
Base-Backbone interact. energy: -0.552
local terms energy: -63.995730
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -351.364853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.364853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.364853 (E_RNA)
where:
Base-Base interactions energy: -257.649
where: short stacking energy: -96.828
Base-Backbone interact. energy: 0.172
local terms energy: -93.888311
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -350.655059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.655059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.655059 (E_RNA)
where:
Base-Base interactions energy: -255.111
where: short stacking energy: -93.856
Base-Backbone interact. energy: -0.274
local terms energy: -95.270127
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -346.726801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.726801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.726801 (E_RNA)
where:
Base-Base interactions energy: -242.641
where: short stacking energy: -102.276
Base-Backbone interact. energy: 1.135
local terms energy: -105.220112
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -28.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -318.805596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.805596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.805596 (E_RNA)
where:
Base-Base interactions energy: -212.564
where: short stacking energy: -90.799
Base-Backbone interact. energy: -0.003
local terms energy: -106.238321
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -26.858
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: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -258.353819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.353819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.353819 (E_RNA)
where:
Base-Base interactions energy: -174.687
where: short stacking energy: -77.574
Base-Backbone interact. energy: -0.266
local terms energy: -83.400374
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -239.929431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.929431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.929431 (E_RNA)
where:
Base-Base interactions energy: -163.753
where: short stacking energy: -82.348
Base-Backbone interact. energy: -0.103
local terms energy: -76.072612
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -188.804536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.804536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.804536 (E_RNA)
where:
Base-Base interactions energy: -121.704
where: short stacking energy: -69.393
Base-Backbone interact. energy: 0.502
local terms energy: -67.602198
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -9.837
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: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -231.667926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.667926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.667926 (E_RNA)
where:
Base-Base interactions energy: -147.892
where: short stacking energy: -69.089
Base-Backbone interact. energy: -0.830
local terms energy: -82.945521
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -10.225
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: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -173.002119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.002119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.002119 (E_RNA)
where:
Base-Base interactions energy: -112.901
where: short stacking energy: -49.319
Base-Backbone interact. energy: -0.657
local terms energy: -59.443925
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -162.377675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.377675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.377675 (E_RNA)
where:
Base-Base interactions energy: -93.795
where: short stacking energy: -52.642
Base-Backbone interact. energy: -0.096
local terms energy: -68.486552
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -9.411
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: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -353.919872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.919872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.919872 (E_RNA)
where:
Base-Base interactions energy: -260.463
where: short stacking energy: -86.310
Base-Backbone interact. energy: 0.638
local terms energy: -94.094961
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -23.490
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -359.243230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.243230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.243230 (E_RNA)
where:
Base-Base interactions energy: -253.565
where: short stacking energy: -103.908
Base-Backbone interact. energy: -0.203
local terms energy: -105.475233
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -23.003
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -28.539
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: 81
Temperature: 1.000000
Total energy: -342.075983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.075983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.075983 (E_RNA)
where:
Base-Base interactions energy: -242.038
where: short stacking energy: -91.259
Base-Backbone interact. energy: -0.237
local terms energy: -99.801748
where:
bonds (distance) C4'-P energy: -21.463
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -20.059
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: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -319.623435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.623435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.623435 (E_RNA)
where:
Base-Base interactions energy: -217.467
where: short stacking energy: -99.500
Base-Backbone interact. energy: -0.016
local terms energy: -102.140167
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -25.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -248.731284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.731284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.731284 (E_RNA)
where:
Base-Base interactions energy: -169.596
where: short stacking energy: -72.797
Base-Backbone interact. energy: -0.220
local terms energy: -78.915728
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -10.562
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: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -241.602417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.602417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.602417 (E_RNA)
where:
Base-Base interactions energy: -163.669
where: short stacking energy: -69.845
Base-Backbone interact. energy: -0.324
local terms energy: -77.608764
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -21.900
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -8.619
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: 81
Temperature: 1.200000
Total energy: -171.152768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.152768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.152768 (E_RNA)
where:
Base-Base interactions energy: -96.545
where: short stacking energy: -55.276
Base-Backbone interact. energy: -0.221
local terms energy: -74.386831
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -162.774925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.774925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.774925 (E_RNA)
where:
Base-Base interactions energy: -87.501
where: short stacking energy: -53.632
Base-Backbone interact. energy: -0.247
local terms energy: -75.027041
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -244.839836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.839836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.839836 (E_RNA)
where:
Base-Base interactions energy: -162.548
where: short stacking energy: -69.939
Base-Backbone interact. energy: -0.051
local terms energy: -82.241160
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -13.769
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: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -151.142900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.142900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.142900 (E_RNA)
where:
Base-Base interactions energy: -76.146
where: short stacking energy: -35.334
Base-Backbone interact. energy: -0.078
local terms energy: -74.918162
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -356.741673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.741673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.741673 (E_RNA)
where:
Base-Base interactions energy: -247.794
where: short stacking energy: -105.250
Base-Backbone interact. energy: -0.360
local terms energy: -108.586914
where:
bonds (distance) C4'-P energy: -18.637
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -30.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -347.223855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.223855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.223855 (E_RNA)
where:
Base-Base interactions energy: -256.068
where: short stacking energy: -95.250
Base-Backbone interact. energy: -0.218
local terms energy: -90.937739
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -12.420
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: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -342.841445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.841445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.841445 (E_RNA)
where:
Base-Base interactions energy: -251.733
where: short stacking energy: -90.356
Base-Backbone interact. energy: -0.084
local terms energy: -91.023624
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -18.434
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: 82
Temperature: 1.050000
Total energy: -308.966382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.966382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.966382 (E_RNA)
where:
Base-Base interactions energy: -204.094
where: short stacking energy: -93.638
Base-Backbone interact. energy: 0.240
local terms energy: -105.112234
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -25.673
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: 82
Temperature: 1.100000
Total energy: -256.172425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.172425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.172425 (E_RNA)
where:
Base-Base interactions energy: -165.398
where: short stacking energy: -70.679
Base-Backbone interact. energy: 1.711
local terms energy: -92.485183
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -19.053
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -253.933453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.933453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.933453 (E_RNA)
where:
Base-Base interactions energy: -166.322
where: short stacking energy: -69.782
Base-Backbone interact. energy: -0.815
local terms energy: -86.796320
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -179.371838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.371838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.371838 (E_RNA)
where:
Base-Base interactions energy: -95.792
where: short stacking energy: -51.334
Base-Backbone interact. energy: -0.234
local terms energy: -83.346185
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -7.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -178.550441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.550441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.550441 (E_RNA)
where:
Base-Base interactions energy: -113.537
where: short stacking energy: -60.469
Base-Backbone interact. energy: 0.272
local terms energy: -65.285213
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -6.855
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: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -206.575363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.575363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.575363 (E_RNA)
where:
Base-Base interactions energy: -125.810
where: short stacking energy: -64.423
Base-Backbone interact. energy: -0.345
local terms energy: -80.419627
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -13.739
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: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -176.066409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.066409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.066409 (E_RNA)
where:
Base-Base interactions energy: -109.093
where: short stacking energy: -57.011
Base-Backbone interact. energy: -0.531
local terms energy: -66.441947
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -361.936216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.936216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.936216 (E_RNA)
where:
Base-Base interactions energy: -253.575
where: short stacking energy: -105.773
Base-Backbone interact. energy: -0.399
local terms energy: -107.961958
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -28.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -350.858684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.858684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.858684 (E_RNA)
where:
Base-Base interactions energy: -253.546
where: short stacking energy: -90.628
Base-Backbone interact. energy: -0.654
local terms energy: -96.658577
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -342.991107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.991107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.991107 (E_RNA)
where:
Base-Base interactions energy: -243.860
where: short stacking energy: -85.153
Base-Backbone interact. energy: 0.633
local terms energy: -99.764898
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -25.761
flat angles P-C4'-P energy: -15.879
tors. eta vs tors. theta energy: -18.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -319.177877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.177877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.177877 (E_RNA)
where:
Base-Base interactions energy: -220.228
where: short stacking energy: -85.570
Base-Backbone interact. energy: 0.869
local terms energy: -99.818873
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -21.913
flat angles C4'-P-C4' energy: -21.979
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -24.499
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: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -256.717712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.717712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.717712 (E_RNA)
where:
Base-Base interactions energy: -167.555
where: short stacking energy: -77.445
Base-Backbone interact. energy: -0.801
local terms energy: -88.361960
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -261.840730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.840730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.840730 (E_RNA)
where:
Base-Base interactions energy: -170.709
where: short stacking energy: -99.941
Base-Backbone interact. energy: -0.060
local terms energy: -91.072424
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -24.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -196.056604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.056604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.056604 (E_RNA)
where:
Base-Base interactions energy: -113.363
where: short stacking energy: -65.282
Base-Backbone interact. energy: -0.171
local terms energy: -82.522733
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -17.439
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: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -214.516369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.516369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.516369 (E_RNA)
where:
Base-Base interactions energy: -131.954
where: short stacking energy: -66.859
Base-Backbone interact. energy: -0.507
local terms energy: -82.055770
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -171.658388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.658388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.658388 (E_RNA)
where:
Base-Base interactions energy: -109.066
where: short stacking energy: -54.027
Base-Backbone interact. energy: -0.544
local terms energy: -62.048426
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -8.021
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -9.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -179.417656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.417656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.417656 (E_RNA)
where:
Base-Base interactions energy: -108.617
where: short stacking energy: -58.546
Base-Backbone interact. energy: -0.647
local terms energy: -70.153950
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -6.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -354.426840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.426840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.426840 (E_RNA)
where:
Base-Base interactions energy: -247.053
where: short stacking energy: -102.053
Base-Backbone interact. energy: -0.120
local terms energy: -107.253973
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -27.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -354.517791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.517791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.517791 (E_RNA)
where:
Base-Base interactions energy: -257.808
where: short stacking energy: -84.156
Base-Backbone interact. energy: 0.092
local terms energy: -96.801662
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -17.775
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: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -344.288803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.288803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.288803 (E_RNA)
where:
Base-Base interactions energy: -240.118
where: short stacking energy: -100.676
Base-Backbone interact. energy: -0.238
local terms energy: -103.932689
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -22.745
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -23.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -308.904304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.904304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.904304 (E_RNA)
where:
Base-Base interactions energy: -218.161
where: short stacking energy: -87.734
Base-Backbone interact. energy: -0.661
local terms energy: -90.082056
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -272.619991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.619991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.619991 (E_RNA)
where:
Base-Base interactions energy: -169.839
where: short stacking energy: -89.464
Base-Backbone interact. energy: -0.093
local terms energy: -102.688533
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -23.595
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: 84
Temperature: 1.150000
Total energy: -252.721241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.721241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.721241 (E_RNA)
where:
Base-Base interactions energy: -169.826
where: short stacking energy: -73.433
Base-Backbone interact. energy: -0.286
local terms energy: -82.609043
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -10.719
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: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -212.732272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.732272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.732272 (E_RNA)
where:
Base-Base interactions energy: -137.664
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.287
local terms energy: -74.780916
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -196.558613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.558613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.558613 (E_RNA)
where:
Base-Base interactions energy: -107.982
where: short stacking energy: -64.305
Base-Backbone interact. energy: -0.595
local terms energy: -87.981415
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -25.032
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -153.122558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.122558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.122558 (E_RNA)
where:
Base-Base interactions energy: -92.962
where: short stacking energy: -47.848
Base-Backbone interact. energy: -0.021
local terms energy: -60.139825
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: 0.391
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: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -165.055899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.055899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.055899 (E_RNA)
where:
Base-Base interactions energy: -89.074
where: short stacking energy: -45.884
Base-Backbone interact. energy: -0.271
local terms energy: -75.710813
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -355.875243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.875243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.875243 (E_RNA)
where:
Base-Base interactions energy: -254.986
where: short stacking energy: -102.580
Base-Backbone interact. energy: -0.003
local terms energy: -100.885711
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -15.363
tors. eta vs tors. theta energy: -27.291
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: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -352.415135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.415135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.415135 (E_RNA)
where:
Base-Base interactions energy: -256.279
where: short stacking energy: -87.576
Base-Backbone interact. energy: -0.246
local terms energy: -95.890027
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -23.217
flat angles P-C4'-P energy: -17.249
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: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -340.444404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.444404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.444404 (E_RNA)
where:
Base-Base interactions energy: -247.016
where: short stacking energy: -100.213
Base-Backbone interact. energy: 0.149
local terms energy: -93.577673
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -21.279
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -267.726702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.726702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.726702 (E_RNA)
where:
Base-Base interactions energy: -178.908
where: short stacking energy: -78.678
Base-Backbone interact. energy: -0.366
local terms energy: -88.452553
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -21.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -306.623090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.623090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.623090 (E_RNA)
where:
Base-Base interactions energy: -212.768
where: short stacking energy: -90.044
Base-Backbone interact. energy: -0.019
local terms energy: -93.835826
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -22.387
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: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -234.578397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.578397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.578397 (E_RNA)
where:
Base-Base interactions energy: -138.340
where: short stacking energy: -67.816
Base-Backbone interact. energy: -0.259
local terms energy: -95.979351
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -12.795
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: 7, replica: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -241.633161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.633161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.633161 (E_RNA)
where:
Base-Base interactions energy: -154.968
where: short stacking energy: -73.506
Base-Backbone interact. energy: -0.946
local terms energy: -85.719065
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -163.892874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.892874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.892874 (E_RNA)
where:
Base-Base interactions energy: -93.288
where: short stacking energy: -55.113
Base-Backbone interact. energy: -0.626
local terms energy: -69.979611
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -175.246871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.246871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.246871 (E_RNA)
where:
Base-Base interactions energy: -96.882
where: short stacking energy: -60.154
Base-Backbone interact. energy: -0.387
local terms energy: -77.977442
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -8.914
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: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -165.775152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.775152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.775152 (E_RNA)
where:
Base-Base interactions energy: -107.025
where: short stacking energy: -58.834
Base-Backbone interact. energy: -0.042
local terms energy: -58.708387
where:
bonds (distance) C4'-P energy: -8.585
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -355.020380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.020380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.020380 (E_RNA)
where:
Base-Base interactions energy: -253.235
where: short stacking energy: -90.368
Base-Backbone interact. energy: -0.508
local terms energy: -101.277360
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -18.324
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: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -348.260403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.260403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.260403 (E_RNA)
where:
Base-Base interactions energy: -246.509
where: short stacking energy: -80.867
Base-Backbone interact. energy: -0.175
local terms energy: -101.576846
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -21.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -341.241532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.241532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.241532 (E_RNA)
where:
Base-Base interactions energy: -237.954
where: short stacking energy: -106.233
Base-Backbone interact. energy: -0.166
local terms energy: -103.121420
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -31.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -267.171796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.171796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.171796 (E_RNA)
where:
Base-Base interactions energy: -170.241
where: short stacking energy: -95.200
Base-Backbone interact. energy: -0.234
local terms energy: -96.696754
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -27.106
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: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -252.655241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.655241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.655241 (E_RNA)
where:
Base-Base interactions energy: -158.032
where: short stacking energy: -77.310
Base-Backbone interact. energy: -0.197
local terms energy: -94.426252
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -18.521
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -299.046439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.046439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.046439 (E_RNA)
where:
Base-Base interactions energy: -203.727
where: short stacking energy: -90.501
Base-Backbone interact. energy: -0.765
local terms energy: -94.553810
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -23.248
flat angles P-C4'-P energy: -12.101
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: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -189.528799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.528799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.528799 (E_RNA)
where:
Base-Base interactions energy: -111.101
where: short stacking energy: -59.352
Base-Backbone interact. energy: -0.686
local terms energy: -77.741226
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -24.432
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -198.400431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.400431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.400431 (E_RNA)
where:
Base-Base interactions energy: -129.269
where: short stacking energy: -59.531
Base-Backbone interact. energy: -0.908
local terms energy: -68.223187
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -9.833
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -13.509
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: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -180.824958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.824958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.824958 (E_RNA)
where:
Base-Base interactions energy: -116.515
where: short stacking energy: -64.859
Base-Backbone interact. energy: -0.638
local terms energy: -63.672217
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -5.162
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: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -160.645251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.645251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.645251 (E_RNA)
where:
Base-Base interactions energy: -99.226
where: short stacking energy: -42.619
Base-Backbone interact. energy: -0.390
local terms energy: -61.029640
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -23.094
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: 0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -350.877255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.877255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.877255 (E_RNA)
where:
Base-Base interactions energy: -246.809
where: short stacking energy: -92.353
Base-Backbone interact. energy: -0.167
local terms energy: -103.900670
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -23.554
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: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -359.483773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.483773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.483773 (E_RNA)
where:
Base-Base interactions energy: -249.143
where: short stacking energy: -105.424
Base-Backbone interact. energy: -0.400
local terms energy: -109.940146
where:
bonds (distance) C4'-P energy: -20.328
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -26.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -349.742777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.742777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.742777 (E_RNA)
where:
Base-Base interactions energy: -256.808
where: short stacking energy: -97.370
Base-Backbone interact. energy: -0.100
local terms energy: -92.834539
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -28.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -260.488159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.488159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.488159 (E_RNA)
where:
Base-Base interactions energy: -160.193
where: short stacking energy: -83.707
Base-Backbone interact. energy: -0.181
local terms energy: -100.113768
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -25.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -264.921922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.921922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.921922 (E_RNA)
where:
Base-Base interactions energy: -169.963
where: short stacking energy: -83.865
Base-Backbone interact. energy: 0.274
local terms energy: -95.232843
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -285.807973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.807973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.807973 (E_RNA)
where:
Base-Base interactions energy: -199.926
where: short stacking energy: -84.365
Base-Backbone interact. energy: -0.231
local terms energy: -85.651444
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -21.783
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: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -185.410905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.410905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.410905 (E_RNA)
where:
Base-Base interactions energy: -110.366
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.119
local terms energy: -74.925620
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -185.851210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.851210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.851210 (E_RNA)
where:
Base-Base interactions energy: -97.775
where: short stacking energy: -57.372
Base-Backbone interact. energy: -0.711
local terms energy: -87.365548
where:
bonds (distance) C4'-P energy: -21.200
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -127.297336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.297336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.297336 (E_RNA)
where:
Base-Base interactions energy: -73.755
where: short stacking energy: -29.084
Base-Backbone interact. energy: -0.699
local terms energy: -52.843436
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -5.835
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: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -169.064421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.064421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.064421 (E_RNA)
where:
Base-Base interactions energy: -99.143
where: short stacking energy: -45.824
Base-Backbone interact. energy: -0.395
local terms energy: -69.526413
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -350.113828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.113828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.113828 (E_RNA)
where:
Base-Base interactions energy: -251.880
where: short stacking energy: -95.697
Base-Backbone interact. energy: -0.154
local terms energy: -98.079537
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -15.944
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: 2, replica: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -342.527148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.527148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.527148 (E_RNA)
where:
Base-Base interactions energy: -251.282
where: short stacking energy: -103.615
Base-Backbone interact. energy: -0.208
local terms energy: -91.036479
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -350.629450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.629450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.629450 (E_RNA)
where:
Base-Base interactions energy: -245.545
where: short stacking energy: -94.648
Base-Backbone interact. energy: -0.101
local terms energy: -104.982505
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -20.053
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -18.104
tors. eta vs tors. theta energy: -28.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -261.181422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.181422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.181422 (E_RNA)
where:
Base-Base interactions energy: -170.696
where: short stacking energy: -82.164
Base-Backbone interact. energy: -0.478
local terms energy: -90.006922
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -12.819
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: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -297.700958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.700958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.700958 (E_RNA)
where:
Base-Base interactions energy: -204.752
where: short stacking energy: -91.376
Base-Backbone interact. energy: 0.865
local terms energy: -93.814497
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -250.108247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.108247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.108247 (E_RNA)
where:
Base-Base interactions energy: -168.450
where: short stacking energy: -81.217
Base-Backbone interact. energy: -0.210
local terms energy: -81.448703
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -18.366
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: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -179.923405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.923405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.923405 (E_RNA)
where:
Base-Base interactions energy: -114.964
where: short stacking energy: -57.405
Base-Backbone interact. energy: -1.274
local terms energy: -63.685045
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -10.269
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: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -178.681436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.681436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.681436 (E_RNA)
where:
Base-Base interactions energy: -112.973
where: short stacking energy: -63.087
Base-Backbone interact. energy: -0.958
local terms energy: -64.750345
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -175.193466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.193466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.193466 (E_RNA)
where:
Base-Base interactions energy: -108.666
where: short stacking energy: -48.907
Base-Backbone interact. energy: -1.159
local terms energy: -65.368007
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -9.441
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -114.676286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.676286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.676286 (E_RNA)
where:
Base-Base interactions energy: -41.016
where: short stacking energy: -39.477
Base-Backbone interact. energy: 0.551
local terms energy: -74.212168
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -6.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -349.675882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.675882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.675882 (E_RNA)
where:
Base-Base interactions energy: -255.600
where: short stacking energy: -88.321
Base-Backbone interact. energy: -0.094
local terms energy: -93.981755
where:
bonds (distance) C4'-P energy: -21.421
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -360.299399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.299399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.299399 (E_RNA)
where:
Base-Base interactions energy: -253.797
where: short stacking energy: -99.503
Base-Backbone interact. energy: -0.096
local terms energy: -106.405971
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -26.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -341.276926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.276926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.276926 (E_RNA)
where:
Base-Base interactions energy: -237.885
where: short stacking energy: -100.212
Base-Backbone interact. energy: -0.001
local terms energy: -103.391727
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -29.264
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: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -310.741489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.741489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.741489 (E_RNA)
where:
Base-Base interactions energy: -218.122
where: short stacking energy: -96.366
Base-Backbone interact. energy: -0.006
local terms energy: -92.613297
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -27.251
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: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -274.550522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.550522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.550522 (E_RNA)
where:
Base-Base interactions energy: -184.212
where: short stacking energy: -91.263
Base-Backbone interact. energy: -0.446
local terms energy: -89.893126
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -26.622
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -22.235
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: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -185.664336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.664336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.664336 (E_RNA)
where:
Base-Base interactions energy: -113.870
where: short stacking energy: -68.561
Base-Backbone interact. energy: 1.412
local terms energy: -73.206098
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -239.076545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.076545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.076545 (E_RNA)
where:
Base-Base interactions energy: -149.508
where: short stacking energy: -81.266
Base-Backbone interact. energy: -0.276
local terms energy: -89.291763
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -21.647
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: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -227.655273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.655273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.655273 (E_RNA)
where:
Base-Base interactions energy: -150.033
where: short stacking energy: -67.314
Base-Backbone interact. energy: -0.900
local terms energy: -76.721885
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -171.008196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.008196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.008196 (E_RNA)
where:
Base-Base interactions energy: -99.547
where: short stacking energy: -57.867
Base-Backbone interact. energy: -0.806
local terms energy: -70.655266
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -20.268
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -97.487118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.487118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.487118 (E_RNA)
where:
Base-Base interactions energy: -33.538
where: short stacking energy: -27.376
Base-Backbone interact. energy: 2.627
local terms energy: -66.576297
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -358.002632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.002632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.002632 (E_RNA)
where:
Base-Base interactions energy: -252.966
where: short stacking energy: -96.948
Base-Backbone interact. energy: -0.067
local terms energy: -104.969122
where:
bonds (distance) C4'-P energy: -19.629
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -27.003
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: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -345.023595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.023595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.023595 (E_RNA)
where:
Base-Base interactions energy: -246.200
where: short stacking energy: -93.859
Base-Backbone interact. energy: -0.062
local terms energy: -98.761573
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -313.636058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.636058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.636058 (E_RNA)
where:
Base-Base interactions energy: -215.518
where: short stacking energy: -87.872
Base-Backbone interact. energy: -0.581
local terms energy: -97.537116
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -335.204527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.204527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.204527 (E_RNA)
where:
Base-Base interactions energy: -230.714
where: short stacking energy: -97.620
Base-Backbone interact. energy: -0.107
local terms energy: -104.384145
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -29.022
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: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -251.174334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.174334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.174334 (E_RNA)
where:
Base-Base interactions energy: -160.349
where: short stacking energy: -81.587
Base-Backbone interact. energy: 1.507
local terms energy: -92.333009
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -22.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -221.232983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.232983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.232983 (E_RNA)
where:
Base-Base interactions energy: -138.684
where: short stacking energy: -84.667
Base-Backbone interact. energy: -0.102
local terms energy: -82.447718
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -22.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -227.951586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.951586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.951586 (E_RNA)
where:
Base-Base interactions energy: -144.360
where: short stacking energy: -68.576
Base-Backbone interact. energy: -0.381
local terms energy: -83.210446
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -11.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -225.906972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.906972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.906972 (E_RNA)
where:
Base-Base interactions energy: -143.328
where: short stacking energy: -69.311
Base-Backbone interact. energy: -0.312
local terms energy: -82.266838
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -21.267
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -202.283365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.283365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.283365 (E_RNA)
where:
Base-Base interactions energy: -130.715
where: short stacking energy: -57.474
Base-Backbone interact. energy: -0.381
local terms energy: -71.186573
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -10.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -115.697128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.697128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.697128 (E_RNA)
where:
Base-Base interactions energy: -48.171
where: short stacking energy: -33.215
Base-Backbone interact. energy: -0.110
local terms energy: -67.415528
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -359.476058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.476058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.476058 (E_RNA)
where:
Base-Base interactions energy: -258.367
where: short stacking energy: -100.685
Base-Backbone interact. energy: -0.660
local terms energy: -100.448672
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -27.662
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: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -314.832079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.832079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.832079 (E_RNA)
where:
Base-Base interactions energy: -213.241
where: short stacking energy: -91.425
Base-Backbone interact. energy: -0.150
local terms energy: -101.440978
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -28.952
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: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -341.156268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.156268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.156268 (E_RNA)
where:
Base-Base interactions energy: -235.381
where: short stacking energy: -89.348
Base-Backbone interact. energy: -0.227
local terms energy: -105.548878
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -332.832889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.832889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.832889 (E_RNA)
where:
Base-Base interactions energy: -235.979
where: short stacking energy: -98.236
Base-Backbone interact. energy: -0.085
local terms energy: -96.768165
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -16.985
tors. eta vs tors. theta energy: -23.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -237.189962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.189962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.189962 (E_RNA)
where:
Base-Base interactions energy: -159.823
where: short stacking energy: -67.444
Base-Backbone interact. energy: -0.852
local terms energy: -76.515093
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -229.654389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.654389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.654389 (E_RNA)
where:
Base-Base interactions energy: -151.287
where: short stacking energy: -64.755
Base-Backbone interact. energy: -0.732
local terms energy: -77.634837
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -190.804398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.804398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.804398 (E_RNA)
where:
Base-Base interactions energy: -116.382
where: short stacking energy: -67.339
Base-Backbone interact. energy: -0.707
local terms energy: -73.715619
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -15.855
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: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -214.657671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.657671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.657671 (E_RNA)
where:
Base-Base interactions energy: -133.802
where: short stacking energy: -62.370
Base-Backbone interact. energy: -1.512
local terms energy: -79.343934
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -20.023
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -15.065
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: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -220.609571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.609571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.609571 (E_RNA)
where:
Base-Base interactions energy: -149.309
where: short stacking energy: -56.309
Base-Backbone interact. energy: -0.184
local terms energy: -71.116565
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -9.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -95.025897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.025897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.025897 (E_RNA)
where:
Base-Base interactions energy: -43.576
where: short stacking energy: -29.912
Base-Backbone interact. energy: -0.566
local terms energy: -50.883207
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: 2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -364.764429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.764429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.764429 (E_RNA)
where:
Base-Base interactions energy: -256.653
where: short stacking energy: -101.967
Base-Backbone interact. energy: -0.571
local terms energy: -107.540461
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -24.786
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -25.391
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: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -315.440948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.440948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.440948 (E_RNA)
where:
Base-Base interactions energy: -215.193
where: short stacking energy: -95.294
Base-Backbone interact. energy: -0.018
local terms energy: -100.229409
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -25.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -354.512620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.512620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.512620 (E_RNA)
where:
Base-Base interactions energy: -250.135
where: short stacking energy: -94.700
Base-Backbone interact. energy: 0.041
local terms energy: -104.418610
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -25.653
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: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -337.875977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.875977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.875977 (E_RNA)
where:
Base-Base interactions energy: -234.188
where: short stacking energy: -103.962
Base-Backbone interact. energy: -0.000
local terms energy: -103.688041
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -32.584
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: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -237.796264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.796264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.796264 (E_RNA)
where:
Base-Base interactions energy: -152.445
where: short stacking energy: -72.509
Base-Backbone interact. energy: -0.159
local terms energy: -85.192419
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -17.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -265.529258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.529258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.529258 (E_RNA)
where:
Base-Base interactions energy: -176.005
where: short stacking energy: -88.702
Base-Backbone interact. energy: -0.503
local terms energy: -89.021227
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -20.722
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -195.359630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.359630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.359630 (E_RNA)
where:
Base-Base interactions energy: -109.769
where: short stacking energy: -71.240
Base-Backbone interact. energy: 0.153
local terms energy: -85.743562
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -166.130355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.130355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.130355 (E_RNA)
where:
Base-Base interactions energy: -92.236
where: short stacking energy: -48.678
Base-Backbone interact. energy: 1.560
local terms energy: -75.454707
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -205.361548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.361548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.361548 (E_RNA)
where:
Base-Base interactions energy: -130.750
where: short stacking energy: -65.894
Base-Backbone interact. energy: -0.094
local terms energy: -74.517491
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -13.779
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: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -107.876741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.876741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.876741 (E_RNA)
where:
Base-Base interactions energy: -35.998
where: short stacking energy: -35.998
Base-Backbone interact. energy: -0.133
local terms energy: -71.745631
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -357.488569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.488569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.488569 (E_RNA)
where:
Base-Base interactions energy: -249.888
where: short stacking energy: -91.233
Base-Backbone interact. energy: -0.095
local terms energy: -107.505557
where:
bonds (distance) C4'-P energy: -21.706
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: -26.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -358.275255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.275255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.275255 (E_RNA)
where:
Base-Base interactions energy: -258.411
where: short stacking energy: -99.318
Base-Backbone interact. energy: -0.075
local terms energy: -99.789687
where:
bonds (distance) C4'-P energy: -23.283
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -24.450
flat angles P-C4'-P energy: -15.057
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: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -306.174190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.174190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.174190 (E_RNA)
where:
Base-Base interactions energy: -202.528
where: short stacking energy: -98.247
Base-Backbone interact. energy: -0.087
local terms energy: -103.559210
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -15.489
tors. eta vs tors. theta energy: -23.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -337.982334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.982334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.982334 (E_RNA)
where:
Base-Base interactions energy: -238.103
where: short stacking energy: -97.712
Base-Backbone interact. energy: -0.102
local terms energy: -99.777281
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -25.636
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: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -247.186370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.186370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.186370 (E_RNA)
where:
Base-Base interactions energy: -163.615
where: short stacking energy: -74.767
Base-Backbone interact. energy: -1.608
local terms energy: -81.963388
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -250.724985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.724985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.724985 (E_RNA)
where:
Base-Base interactions energy: -172.472
where: short stacking energy: -68.686
Base-Backbone interact. energy: -0.813
local terms energy: -77.440281
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -7.567
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: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -193.344911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.344911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.344911 (E_RNA)
where:
Base-Base interactions energy: -116.273
where: short stacking energy: -57.953
Base-Backbone interact. energy: -0.320
local terms energy: -76.752563
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -14.591
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: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -221.675725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.675725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.675725 (E_RNA)
where:
Base-Base interactions energy: -132.759
where: short stacking energy: -66.140
Base-Backbone interact. energy: -0.792
local terms energy: -88.124501
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -17.159
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: 9, replica: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -158.092704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.092704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.092704 (E_RNA)
where:
Base-Base interactions energy: -92.010
where: short stacking energy: -45.651
Base-Backbone interact. energy: -0.876
local terms energy: -65.207009
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: 2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -98.991527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.991527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.991527 (E_RNA)
where:
Base-Base interactions energy: -48.176
where: short stacking energy: -44.181
Base-Backbone interact. energy: 2.777
local terms energy: -53.592231
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -357.739843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.739843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.739843 (E_RNA)
where:
Base-Base interactions energy: -254.820
where: short stacking energy: -100.141
Base-Backbone interact. energy: -0.089
local terms energy: -102.829981
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -27.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -351.960443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.960443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.960443 (E_RNA)
where:
Base-Base interactions energy: -249.282
where: short stacking energy: -93.754
Base-Backbone interact. energy: -0.125
local terms energy: -102.553339
where:
bonds (distance) C4'-P energy: -19.323
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -24.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -347.724890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.724890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.724890 (E_RNA)
where:
Base-Base interactions energy: -254.387
where: short stacking energy: -92.734
Base-Backbone interact. energy: -0.367
local terms energy: -92.970483
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -14.012
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: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -299.442607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.442607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.442607 (E_RNA)
where:
Base-Base interactions energy: -208.288
where: short stacking energy: -89.439
Base-Backbone interact. energy: -0.325
local terms energy: -90.829903
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -273.391656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.391656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.391656 (E_RNA)
where:
Base-Base interactions energy: -175.454
where: short stacking energy: -77.124
Base-Backbone interact. energy: -0.036
local terms energy: -97.901595
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -229.783758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.783758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.783758 (E_RNA)
where:
Base-Base interactions energy: -154.595
where: short stacking energy: -65.675
Base-Backbone interact. energy: -0.582
local terms energy: -74.607176
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -10.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -239.015780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.015780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.015780 (E_RNA)
where:
Base-Base interactions energy: -156.105
where: short stacking energy: -87.962
Base-Backbone interact. energy: -0.420
local terms energy: -82.490491
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -23.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -186.283343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.283343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.283343 (E_RNA)
where:
Base-Base interactions energy: -116.413
where: short stacking energy: -62.790
Base-Backbone interact. energy: -0.098
local terms energy: -69.771921
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -10.822
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: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -170.632444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.632444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.632444 (E_RNA)
where:
Base-Base interactions energy: -97.561
where: short stacking energy: -57.616
Base-Backbone interact. energy: -0.937
local terms energy: -72.133702
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -8.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -97.465108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.465108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.465108 (E_RNA)
where:
Base-Base interactions energy: -38.461
where: short stacking energy: -36.880
Base-Backbone interact. energy: 0.937
local terms energy: -59.940380
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -1.822
tors. eta vs tors. theta energy: -1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -359.639312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.639312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.639312 (E_RNA)
where:
Base-Base interactions energy: -254.691
where: short stacking energy: -96.006
Base-Backbone interact. energy: -0.663
local terms energy: -104.285181
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -22.268
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -24.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -354.385109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.385109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.385109 (E_RNA)
where:
Base-Base interactions energy: -253.029
where: short stacking energy: -93.729
Base-Backbone interact. energy: -0.045
local terms energy: -101.311558
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -13.795
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: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -340.296897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.296897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.296897 (E_RNA)
where:
Base-Base interactions energy: -246.885
where: short stacking energy: -93.579
Base-Backbone interact. energy: -0.207
local terms energy: -93.205208
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -27.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -305.022972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.022972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.022972 (E_RNA)
where:
Base-Base interactions energy: -216.523
where: short stacking energy: -94.835
Base-Backbone interact. energy: -0.038
local terms energy: -88.462211
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -20.571
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: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -266.099189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.099189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.099189 (E_RNA)
where:
Base-Base interactions energy: -176.695
where: short stacking energy: -80.650
Base-Backbone interact. energy: -0.212
local terms energy: -89.191929
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -235.674643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.674643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.674643 (E_RNA)
where:
Base-Base interactions energy: -159.163
where: short stacking energy: -78.576
Base-Backbone interact. energy: -0.359
local terms energy: -76.152315
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -13.711
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: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -219.878712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.878712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.878712 (E_RNA)
where:
Base-Base interactions energy: -149.798
where: short stacking energy: -75.636
Base-Backbone interact. energy: 0.960
local terms energy: -71.040999
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -10.617
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: 8, replica: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -176.249628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.249628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.249628 (E_RNA)
where:
Base-Base interactions energy: -98.550
where: short stacking energy: -50.054
Base-Backbone interact. energy: -0.207
local terms energy: -77.493048
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -9.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -169.585833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.585833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.585833 (E_RNA)
where:
Base-Base interactions energy: -100.615
where: short stacking energy: -45.939
Base-Backbone interact. energy: -0.537
local terms energy: -68.433487
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -7.244
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: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -110.968132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.968132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.968132 (E_RNA)
where:
Base-Base interactions energy: -33.932
where: short stacking energy: -24.593
Base-Backbone interact. energy: -0.258
local terms energy: -76.777778
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -362.757626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.757626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.757626 (E_RNA)
where:
Base-Base interactions energy: -261.804
where: short stacking energy: -97.524
Base-Backbone interact. energy: -0.119
local terms energy: -100.834796
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -23.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -355.465915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.465915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.465915 (E_RNA)
where:
Base-Base interactions energy: -250.251
where: short stacking energy: -98.578
Base-Backbone interact. energy: -0.093
local terms energy: -105.121348
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -25.472
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -23.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -317.456471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.456471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.456471 (E_RNA)
where:
Base-Base interactions energy: -227.422
where: short stacking energy: -90.153
Base-Backbone interact. energy: 0.104
local terms energy: -90.138448
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -21.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -345.199726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.199726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.199726 (E_RNA)
where:
Base-Base interactions energy: -246.247
where: short stacking energy: -96.703
Base-Backbone interact. energy: -0.014
local terms energy: -98.938745
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -24.389
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -266.689756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.689756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.689756 (E_RNA)
where:
Base-Base interactions energy: -179.896
where: short stacking energy: -83.512
Base-Backbone interact. energy: -0.041
local terms energy: -86.752067
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -16.733
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: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -244.026454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.026454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.026454 (E_RNA)
where:
Base-Base interactions energy: -154.534
where: short stacking energy: -84.558
Base-Backbone interact. energy: -1.368
local terms energy: -88.124831
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -19.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -224.154809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.154809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.154809 (E_RNA)
where:
Base-Base interactions energy: -146.498
where: short stacking energy: -65.944
Base-Backbone interact. energy: 0.304
local terms energy: -77.961149
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -184.770547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.770547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.770547 (E_RNA)
where:
Base-Base interactions energy: -107.229
where: short stacking energy: -45.426
Base-Backbone interact. energy: 0.194
local terms energy: -77.734972
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -5.810
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: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -160.024813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.024813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.024813 (E_RNA)
where:
Base-Base interactions energy: -104.075
where: short stacking energy: -57.749
Base-Backbone interact. energy: -0.293
local terms energy: -55.656599
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -7.435
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -104.941521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.941521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.941521 (E_RNA)
where:
Base-Base interactions energy: -36.471
where: short stacking energy: -38.984
Base-Backbone interact. energy: 0.922
local terms energy: -69.393262
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -5.683
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: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -358.556715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.556715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.556715 (E_RNA)
where:
Base-Base interactions energy: -252.024
where: short stacking energy: -98.171
Base-Backbone interact. energy: -0.208
local terms energy: -106.324424
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -27.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -350.128026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.128026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.128026 (E_RNA)
where:
Base-Base interactions energy: -252.043
where: short stacking energy: -93.013
Base-Backbone interact. energy: -0.177
local terms energy: -97.907775
where:
bonds (distance) C4'-P energy: -23.598
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -20.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -317.479920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.479920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.479920 (E_RNA)
where:
Base-Base interactions energy: -215.900
where: short stacking energy: -92.127
Base-Backbone interact. energy: -0.177
local terms energy: -101.403299
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -22.140
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -342.284003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.284003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.284003 (E_RNA)
where:
Base-Base interactions energy: -242.112
where: short stacking energy: -91.716
Base-Backbone interact. energy: -0.102
local terms energy: -100.069963
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -266.779286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.779286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.779286 (E_RNA)
where:
Base-Base interactions energy: -175.442
where: short stacking energy: -81.688
Base-Backbone interact. energy: -0.148
local terms energy: -91.189534
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -22.544
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: 97
Temperature: 1.150000
Total energy: -228.246800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.246800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.246800 (E_RNA)
where:
Base-Base interactions energy: -147.555
where: short stacking energy: -65.044
Base-Backbone interact. energy: -0.152
local terms energy: -80.539243
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -9.935
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: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -227.345663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.345663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.345663 (E_RNA)
where:
Base-Base interactions energy: -143.988
where: short stacking energy: -75.911
Base-Backbone interact. energy: -1.202
local terms energy: -82.155146
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -188.694191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.694191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.694191 (E_RNA)
where:
Base-Base interactions energy: -121.448
where: short stacking energy: -63.011
Base-Backbone interact. energy: -0.635
local terms energy: -66.610749
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -4.905
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -167.822881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.822881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.822881 (E_RNA)
where:
Base-Base interactions energy: -93.516
where: short stacking energy: -48.630
Base-Backbone interact. energy: -0.377
local terms energy: -73.929787
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -14.054
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: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -99.695377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.695377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.695377 (E_RNA)
where:
Base-Base interactions energy: -46.950
where: short stacking energy: -28.834
Base-Backbone interact. energy: -1.165
local terms energy: -51.580234
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -9.616
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: 1, replica: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -360.760111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.760111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.760111 (E_RNA)
where:
Base-Base interactions energy: -256.973
where: short stacking energy: -90.261
Base-Backbone interact. energy: -0.131
local terms energy: -103.655988
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -23.544
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -26.618
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: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -359.359970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.359970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.359970 (E_RNA)
where:
Base-Base interactions energy: -254.664
where: short stacking energy: -92.028
Base-Backbone interact. energy: -0.860
local terms energy: -103.836824
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -25.649
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: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -346.172178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.172178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.172178 (E_RNA)
where:
Base-Base interactions energy: -243.411
where: short stacking energy: -94.612
Base-Backbone interact. energy: -0.187
local terms energy: -102.573755
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -23.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -314.473570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.473570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.473570 (E_RNA)
where:
Base-Base interactions energy: -222.936
where: short stacking energy: -94.194
Base-Backbone interact. energy: 0.264
local terms energy: -91.802352
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -260.277081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.277081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.277081 (E_RNA)
where:
Base-Base interactions energy: -176.671
where: short stacking energy: -74.326
Base-Backbone interact. energy: -0.256
local terms energy: -83.349992
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -231.273404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.273404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.273404 (E_RNA)
where:
Base-Base interactions energy: -153.401
where: short stacking energy: -64.894
Base-Backbone interact. energy: -0.301
local terms energy: -77.570817
where:
bonds (distance) C4'-P energy: -18.611
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -13.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -219.584981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.584981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.584981 (E_RNA)
where:
Base-Base interactions energy: -128.122
where: short stacking energy: -48.797
Base-Backbone interact. energy: 0.259
local terms energy: -91.721251
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -15.935
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: 3
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -178.745227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.745227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.745227 (E_RNA)
where:
Base-Base interactions energy: -101.000
where: short stacking energy: -64.055
Base-Backbone interact. energy: -0.767
local terms energy: -76.978712
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -14.859
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: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -105.781070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.781070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.781070 (E_RNA)
where:
Base-Base interactions energy: -47.369
where: short stacking energy: -47.369
Base-Backbone interact. energy: -0.258
local terms energy: -58.154579
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -163.536925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.536925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.536925 (E_RNA)
where:
Base-Base interactions energy: -89.703
where: short stacking energy: -48.561
Base-Backbone interact. energy: -0.010
local terms energy: -73.823991
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -12.314
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: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -363.052596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.052596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.052596 (E_RNA)
where:
Base-Base interactions energy: -247.549
where: short stacking energy: -89.081
Base-Backbone interact. energy: -0.187
local terms energy: -115.316651
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -23.284
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -18.425
tors. eta vs tors. theta energy: -27.150
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: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -346.260964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.260964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.260964 (E_RNA)
where:
Base-Base interactions energy: -246.372
where: short stacking energy: -94.417
Base-Backbone interact. energy: -0.115
local terms energy: -99.774346
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -29.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -362.422839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.422839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.422839 (E_RNA)
where:
Base-Base interactions energy: -275.758
where: short stacking energy: -91.826
Base-Backbone interact. energy: 0.108
local terms energy: -86.773545
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -305.777724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.777724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.777724 (E_RNA)
where:
Base-Base interactions energy: -212.966
where: short stacking energy: -91.717
Base-Backbone interact. energy: -0.107
local terms energy: -92.705063
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -15.798
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: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -259.412983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.412983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.412983 (E_RNA)
where:
Base-Base interactions energy: -163.346
where: short stacking energy: -81.291
Base-Backbone interact. energy: 0.938
local terms energy: -97.004745
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -24.230
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: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -253.660470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.660470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.660470 (E_RNA)
where:
Base-Base interactions energy: -160.215
where: short stacking energy: -81.708
Base-Backbone interact. energy: -0.839
local terms energy: -92.606119
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -23.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -227.685427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.685427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.685427 (E_RNA)
where:
Base-Base interactions energy: -158.627
where: short stacking energy: -67.301
Base-Backbone interact. energy: -0.804
local terms energy: -68.254434
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -19.612
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -9.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -171.984604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.984604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.984604 (E_RNA)
where:
Base-Base interactions energy: -106.622
where: short stacking energy: -56.607
Base-Backbone interact. energy: 1.062
local terms energy: -66.424289
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -7.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -106.918132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.918132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.918132 (E_RNA)
where:
Base-Base interactions energy: -36.407
where: short stacking energy: -36.407
Base-Backbone interact. energy: 1.456
local terms energy: -71.967613
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -163.560614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.560614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.560614 (E_RNA)
where:
Base-Base interactions energy: -94.710
where: short stacking energy: -52.705
Base-Backbone interact. energy: -0.268
local terms energy: -68.582240
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -6.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -347.931669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.931669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.931669 (E_RNA)
where:
Base-Base interactions energy: -241.019
where: short stacking energy: -104.399
Base-Backbone interact. energy: -1.218
local terms energy: -105.694885
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -27.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -350.360003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.360003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.360003 (E_RNA)
where:
Base-Base interactions energy: -250.874
where: short stacking energy: -100.048
Base-Backbone interact. energy: -0.069
local terms energy: -99.416366
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -28.950
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: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -352.673201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.673201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.673201 (E_RNA)
where:
Base-Base interactions energy: -251.077
where: short stacking energy: -90.004
Base-Backbone interact. energy: -0.825
local terms energy: -100.770593
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -18.520
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: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -309.522640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.522640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.522640 (E_RNA)
where:
Base-Base interactions energy: -205.928
where: short stacking energy: -87.428
Base-Backbone interact. energy: -0.054
local terms energy: -103.540163
where:
bonds (distance) C4'-P energy: -23.495
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -23.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -300.198476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.198476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.198476 (E_RNA)
where:
Base-Base interactions energy: -206.041
where: short stacking energy: -81.475
Base-Backbone interact. energy: -0.044
local terms energy: -94.114013
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -20.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -233.131100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.131100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.131100 (E_RNA)
where:
Base-Base interactions energy: -148.384
where: short stacking energy: -71.800
Base-Backbone interact. energy: -0.384
local terms energy: -84.362867
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -11.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -225.991538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.991538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.991538 (E_RNA)
where:
Base-Base interactions energy: -144.390
where: short stacking energy: -72.660
Base-Backbone interact. energy: -0.477
local terms energy: -81.124854
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -18.512
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: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -171.994184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.994184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.994184 (E_RNA)
where:
Base-Base interactions energy: -94.905
where: short stacking energy: -49.820
Base-Backbone interact. energy: -0.439
local terms energy: -76.650290
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -8.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -176.481492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.481492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.481492 (E_RNA)
where:
Base-Base interactions energy: -111.008
where: short stacking energy: -61.532
Base-Backbone interact. energy: -0.946
local terms energy: -64.526978
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -137.022056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.022056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.022056 (E_RNA)
where:
Base-Base interactions energy: -66.783
where: short stacking energy: -32.267
Base-Backbone interact. energy: 0.790
local terms energy: -71.029189
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -8.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -353.870481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.870481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.870481 (E_RNA)
where:
Base-Base interactions energy: -238.869
where: short stacking energy: -103.859
Base-Backbone interact. energy: -2.346
local terms energy: -112.654713
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -27.646
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: 101
Temperature: 0.950000
Total energy: -360.156855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.156855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.156855 (E_RNA)
where:
Base-Base interactions energy: -267.567
where: short stacking energy: -88.191
Base-Backbone interact. energy: 0.789
local terms energy: -93.379013
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -20.893
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: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -342.684063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.684063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.684063 (E_RNA)
where:
Base-Base interactions energy: -249.218
where: short stacking energy: -94.902
Base-Backbone interact. energy: -0.304
local terms energy: -93.162316
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -27.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -323.975120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.975120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.975120 (E_RNA)
where:
Base-Base interactions energy: -219.402
where: short stacking energy: -96.025
Base-Backbone interact. energy: -0.077
local terms energy: -104.495727
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -28.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -298.221129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.221129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.221129 (E_RNA)
where:
Base-Base interactions energy: -198.875
where: short stacking energy: -93.005
Base-Backbone interact. energy: -0.001
local terms energy: -99.344553
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -26.586
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: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -222.450201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.450201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.450201 (E_RNA)
where:
Base-Base interactions energy: -146.333
where: short stacking energy: -65.101
Base-Backbone interact. energy: 0.020
local terms energy: -76.138017
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -224.612030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.612030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.612030 (E_RNA)
where:
Base-Base interactions energy: -140.137
where: short stacking energy: -74.930
Base-Backbone interact. energy: -0.236
local terms energy: -84.238519
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -15.668
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: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -168.652586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.652586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.652586 (E_RNA)
where:
Base-Base interactions energy: -99.200
where: short stacking energy: -51.787
Base-Backbone interact. energy: -0.261
local terms energy: -69.191657
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -172.562856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.562856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.562856 (E_RNA)
where:
Base-Base interactions energy: -112.970
where: short stacking energy: -63.856
Base-Backbone interact. energy: -0.167
local terms energy: -59.425698
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -102.084117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.084117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.084117 (E_RNA)
where:
Base-Base interactions energy: -43.347
where: short stacking energy: -38.758
Base-Backbone interact. energy: -0.013
local terms energy: -58.724296
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -3.749
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: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -348.176258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.176258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.176258 (E_RNA)
where:
Base-Base interactions energy: -255.567
where: short stacking energy: -93.982
Base-Backbone interact. energy: -0.210
local terms energy: -92.398811
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -349.803726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.803726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.803726 (E_RNA)
where:
Base-Base interactions energy: -244.941
where: short stacking energy: -100.338
Base-Backbone interact. energy: 0.006
local terms energy: -104.867836
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -29.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -328.793617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.793617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.793617 (E_RNA)
where:
Base-Base interactions energy: -230.146
where: short stacking energy: -102.600
Base-Backbone interact. energy: 0.153
local terms energy: -98.801174
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -30.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -341.069453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.069453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.069453 (E_RNA)
where:
Base-Base interactions energy: -237.929
where: short stacking energy: -88.766
Base-Backbone interact. energy: -0.100
local terms energy: -103.041265
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -20.574
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -23.375
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: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -289.361757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.361757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.361757 (E_RNA)
where:
Base-Base interactions energy: -201.247
where: short stacking energy: -90.656
Base-Backbone interact. energy: -0.006
local terms energy: -88.108302
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -23.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -244.577338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.577338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.577338 (E_RNA)
where:
Base-Base interactions energy: -160.706
where: short stacking energy: -80.792
Base-Backbone interact. energy: -0.597
local terms energy: -83.273974
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -16.474
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: 7, replica: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -233.281622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.281622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.281622 (E_RNA)
where:
Base-Base interactions energy: -145.518
where: short stacking energy: -69.413
Base-Backbone interact. energy: -0.023
local terms energy: -87.740379
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -170.195893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.195893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.195893 (E_RNA)
where:
Base-Base interactions energy: -99.077
where: short stacking energy: -49.665
Base-Backbone interact. energy: 0.069
local terms energy: -71.188062
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -1.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -192.507510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.507510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.507510 (E_RNA)
where:
Base-Base interactions energy: -125.680
where: short stacking energy: -55.188
Base-Backbone interact. energy: -0.230
local terms energy: -66.597987
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -12.349
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: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -101.469611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.469611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.469611 (E_RNA)
where:
Base-Base interactions energy: -41.666
where: short stacking energy: -35.469
Base-Backbone interact. energy: -0.248
local terms energy: -59.555423
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -10.460
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -354.285544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.285544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.285544 (E_RNA)
where:
Base-Base interactions energy: -247.269
where: short stacking energy: -98.425
Base-Backbone interact. energy: -0.296
local terms energy: -106.720714
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -25.277
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -26.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -348.917600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.917600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.917600 (E_RNA)
where:
Base-Base interactions energy: -249.778
where: short stacking energy: -93.686
Base-Backbone interact. energy: 0.397
local terms energy: -99.536522
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -28.043
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: 103
Temperature: 1.000000
Total energy: -318.291722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.291722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.291722 (E_RNA)
where:
Base-Base interactions energy: -212.474
where: short stacking energy: -94.988
Base-Backbone interact. energy: -0.101
local terms energy: -105.716564
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -29.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -343.930750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.930750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.930750 (E_RNA)
where:
Base-Base interactions energy: -247.178
where: short stacking energy: -103.898
Base-Backbone interact. energy: -0.047
local terms energy: -96.706008
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -26.563
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: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -300.159911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.159911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.159911 (E_RNA)
where:
Base-Base interactions energy: -202.919
where: short stacking energy: -92.882
Base-Backbone interact. energy: -0.012
local terms energy: -97.228532
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -24.597
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: 9
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -239.913173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.913173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.913173 (E_RNA)
where:
Base-Base interactions energy: -156.191
where: short stacking energy: -68.826
Base-Backbone interact. energy: -0.027
local terms energy: -83.695516
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -213.149598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.149598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.149598 (E_RNA)
where:
Base-Base interactions energy: -137.309
where: short stacking energy: -61.669
Base-Backbone interact. energy: -0.629
local terms energy: -75.211818
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -12.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -174.407379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.407379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.407379 (E_RNA)
where:
Base-Base interactions energy: -99.274
where: short stacking energy: -47.651
Base-Backbone interact. energy: -0.281
local terms energy: -74.851941
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -12.379
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: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -177.892066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.892066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.892066 (E_RNA)
where:
Base-Base interactions energy: -96.731
where: short stacking energy: -43.993
Base-Backbone interact. energy: -0.082
local terms energy: -81.078697
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -103.440586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.440586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.440586 (E_RNA)
where:
Base-Base interactions energy: -39.717
where: short stacking energy: -38.385
Base-Backbone interact. energy: -0.074
local terms energy: -63.649266
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -8.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -350.834256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.834256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.834256 (E_RNA)
where:
Base-Base interactions energy: -250.084
where: short stacking energy: -97.734
Base-Backbone interact. energy: -0.142
local terms energy: -100.607988
where:
bonds (distance) C4'-P energy: -22.030
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -26.471
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: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -349.243988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.243988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.243988 (E_RNA)
where:
Base-Base interactions energy: -252.103
where: short stacking energy: -95.638
Base-Backbone interact. energy: -0.128
local terms energy: -97.012279
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -21.317
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: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -340.206852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.206852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.206852 (E_RNA)
where:
Base-Base interactions energy: -243.840
where: short stacking energy: -101.983
Base-Backbone interact. energy: -0.521
local terms energy: -95.845938
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -19.990
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -25.990
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: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -320.688983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.688983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.688983 (E_RNA)
where:
Base-Base interactions energy: -220.228
where: short stacking energy: -93.629
Base-Backbone interact. energy: -0.224
local terms energy: -100.236400
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -27.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -301.774750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.774750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.774750 (E_RNA)
where:
Base-Base interactions energy: -198.270
where: short stacking energy: -95.190
Base-Backbone interact. energy: -0.035
local terms energy: -103.469486
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -19.354
flat angles C4'-P-C4' energy: -22.410
flat angles P-C4'-P energy: -18.778
tors. eta vs tors. theta energy: -26.916
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: 9
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -245.818339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.818339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.818339 (E_RNA)
where:
Base-Base interactions energy: -157.219
where: short stacking energy: -85.789
Base-Backbone interact. energy: -0.221
local terms energy: -88.378500
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -21.892
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: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -183.827187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.827187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.827187 (E_RNA)
where:
Base-Base interactions energy: -118.764
where: short stacking energy: -46.667
Base-Backbone interact. energy: 0.556
local terms energy: -65.619771
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -176.633724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.633724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.633724 (E_RNA)
where:
Base-Base interactions energy: -104.451
where: short stacking energy: -57.481
Base-Backbone interact. energy: -0.737
local terms energy: -71.445220
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -14.495
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: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -190.460789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.460789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.460789 (E_RNA)
where:
Base-Base interactions energy: -107.551
where: short stacking energy: -55.755
Base-Backbone interact. energy: 1.883
local terms energy: -84.793250
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -10.193
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: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -91.359577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.359577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.359577 (E_RNA)
where:
Base-Base interactions energy: -37.267
where: short stacking energy: -36.547
Base-Backbone interact. energy: 0.213
local terms energy: -54.306073
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -359.899782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.899782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.899782 (E_RNA)
where:
Base-Base interactions energy: -256.112
where: short stacking energy: -97.001
Base-Backbone interact. energy: -0.526
local terms energy: -103.262436
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -25.840
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: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -367.128361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.128361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.128361 (E_RNA)
where:
Base-Base interactions energy: -261.282
where: short stacking energy: -94.158
Base-Backbone interact. energy: -0.737
local terms energy: -105.109225
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -24.028
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -20.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -344.789411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.789411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.789411 (E_RNA)
where:
Base-Base interactions energy: -241.614
where: short stacking energy: -108.004
Base-Backbone interact. energy: -0.076
local terms energy: -103.099519
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -30.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -331.807329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.807329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.807329 (E_RNA)
where:
Base-Base interactions energy: -229.619
where: short stacking energy: -102.183
Base-Backbone interact. energy: -0.014
local terms energy: -102.173904
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -29.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -291.255111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.255111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.255111 (E_RNA)
where:
Base-Base interactions energy: -196.425
where: short stacking energy: -90.897
Base-Backbone interact. energy: -0.077
local terms energy: -94.752758
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -24.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -249.801756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.801756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.801756 (E_RNA)
where:
Base-Base interactions energy: -147.493
where: short stacking energy: -79.300
Base-Backbone interact. energy: -0.001
local terms energy: -102.307129
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -24.870
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: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -240.310399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.310399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.310399 (E_RNA)
where:
Base-Base interactions energy: -155.559
where: short stacking energy: -70.935
Base-Backbone interact. energy: -0.265
local terms energy: -84.486518
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -14.782
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: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -176.773466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.773466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.773466 (E_RNA)
where:
Base-Base interactions energy: -101.850
where: short stacking energy: -62.664
Base-Backbone interact. energy: -0.072
local terms energy: -74.852176
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -12.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -166.796255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.796255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.796255 (E_RNA)
where:
Base-Base interactions energy: -93.610
where: short stacking energy: -49.878
Base-Backbone interact. energy: -0.211
local terms energy: -72.975581
where:
bonds (distance) C4'-P energy: -8.880
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -7.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -121.541849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.541849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.541849 (E_RNA)
where:
Base-Base interactions energy: -63.030
where: short stacking energy: -36.353
Base-Backbone interact. energy: -0.754
local terms energy: -57.758332
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: 3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -357.188026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.188026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.188026 (E_RNA)
where:
Base-Base interactions energy: -260.067
where: short stacking energy: -98.002
Base-Backbone interact. energy: -0.759
local terms energy: -96.361943
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -358.087607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.087607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.087607 (E_RNA)
where:
Base-Base interactions energy: -253.837
where: short stacking energy: -96.083
Base-Backbone interact. energy: -0.067
local terms energy: -104.183778
where:
bonds (distance) C4'-P energy: -22.580
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -23.026
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: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -343.507473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.507473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.507473 (E_RNA)
where:
Base-Base interactions energy: -248.191
where: short stacking energy: -96.867
Base-Backbone interact. energy: 0.239
local terms energy: -95.555251
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -26.649
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: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -314.915706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.915706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.915706 (E_RNA)
where:
Base-Base interactions energy: -226.453
where: short stacking energy: -101.649
Base-Backbone interact. energy: -0.370
local terms energy: -88.092988
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -8.323
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: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -249.157609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.157609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.157609 (E_RNA)
where:
Base-Base interactions energy: -180.062
where: short stacking energy: -72.968
Base-Backbone interact. energy: -0.561
local terms energy: -68.534686
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -297.418969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.418969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.418969 (E_RNA)
where:
Base-Base interactions energy: -207.117
where: short stacking energy: -88.487
Base-Backbone interact. energy: -0.275
local terms energy: -90.027287
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -225.325753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.325753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.325753 (E_RNA)
where:
Base-Base interactions energy: -149.883
where: short stacking energy: -71.211
Base-Backbone interact. energy: -0.163
local terms energy: -75.279958
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -2.821
tors. eta vs tors. theta energy: -16.047
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: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -162.644826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.644826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.644826 (E_RNA)
where:
Base-Base interactions energy: -87.416
where: short stacking energy: -44.763
Base-Backbone interact. energy: -0.137
local terms energy: -75.091833
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -15.654
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: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -173.005896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.005896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.005896 (E_RNA)
where:
Base-Base interactions energy: -109.739
where: short stacking energy: -43.246
Base-Backbone interact. energy: -1.031
local terms energy: -62.236504
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -100.268424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.268424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.268424 (E_RNA)
where:
Base-Base interactions energy: -42.321
where: short stacking energy: -32.600
Base-Backbone interact. energy: -0.444
local terms energy: -57.502742
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -359.801445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.801445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.801445 (E_RNA)
where:
Base-Base interactions energy: -258.699
where: short stacking energy: -90.949
Base-Backbone interact. energy: -1.476
local terms energy: -99.627307
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -23.567
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -21.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -353.889639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.889639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.889639 (E_RNA)
where:
Base-Base interactions energy: -260.493
where: short stacking energy: -92.091
Base-Backbone interact. energy: -0.334
local terms energy: -93.062442
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -21.292
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: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -346.477651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.477651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.477651 (E_RNA)
where:
Base-Base interactions energy: -252.453
where: short stacking energy: -98.231
Base-Backbone interact. energy: -0.033
local terms energy: -93.991328
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -24.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -320.824041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.824041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.824041 (E_RNA)
where:
Base-Base interactions energy: -226.358
where: short stacking energy: -98.948
Base-Backbone interact. energy: -0.057
local terms energy: -94.409364
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -245.292973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.292973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.292973 (E_RNA)
where:
Base-Base interactions energy: -177.774
where: short stacking energy: -80.827
Base-Backbone interact. energy: -0.140
local terms energy: -67.379214
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -4.972
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -9.676
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: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -288.246759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.246759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.246759 (E_RNA)
where:
Base-Base interactions energy: -206.429
where: short stacking energy: -86.754
Base-Backbone interact. energy: -0.017
local terms energy: -81.800988
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -20.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -225.303841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.303841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.303841 (E_RNA)
where:
Base-Base interactions energy: -147.730
where: short stacking energy: -59.029
Base-Backbone interact. energy: -0.872
local terms energy: -76.701584
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -21.137
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -8.390
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: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -189.549063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.549063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.549063 (E_RNA)
where:
Base-Base interactions energy: -116.617
where: short stacking energy: -52.632
Base-Backbone interact. energy: -0.186
local terms energy: -72.746911
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -172.553393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.553393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.553393 (E_RNA)
where:
Base-Base interactions energy: -97.045
where: short stacking energy: -57.442
Base-Backbone interact. energy: 0.279
local terms energy: -75.786729
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -10.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -104.789542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.789542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.789542 (E_RNA)
where:
Base-Base interactions energy: -42.661
where: short stacking energy: -33.585
Base-Backbone interact. energy: -0.740
local terms energy: -61.388395
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: 0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -360.016223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.016223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.016223 (E_RNA)
where:
Base-Base interactions energy: -259.197
where: short stacking energy: -92.012
Base-Backbone interact. energy: -0.144
local terms energy: -100.675652
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -22.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -362.889808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.889808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.889808 (E_RNA)
where:
Base-Base interactions energy: -270.656
where: short stacking energy: -97.565
Base-Backbone interact. energy: 0.113
local terms energy: -92.346569
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -20.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -337.184624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.184624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.184624 (E_RNA)
where:
Base-Base interactions energy: -241.549
where: short stacking energy: -88.061
Base-Backbone interact. energy: 0.269
local terms energy: -95.905325
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -18.785
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -325.677622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.677622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.677622 (E_RNA)
where:
Base-Base interactions energy: -231.272
where: short stacking energy: -97.194
Base-Backbone interact. energy: -0.022
local terms energy: -94.383581
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -22.881
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: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -290.181488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.181488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.181488 (E_RNA)
where:
Base-Base interactions energy: -200.778
where: short stacking energy: -82.091
Base-Backbone interact. energy: -0.077
local terms energy: -89.326505
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -22.243
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: 108
Temperature: 1.150000
Total energy: -242.225735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.225735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.225735 (E_RNA)
where:
Base-Base interactions energy: -163.130
where: short stacking energy: -67.594
Base-Backbone interact. energy: -0.141
local terms energy: -78.954568
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -16.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -243.320666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.320666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.320666 (E_RNA)
where:
Base-Base interactions energy: -165.245
where: short stacking energy: -77.365
Base-Backbone interact. energy: -0.761
local terms energy: -77.314058
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -9.654
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -17.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -183.674420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.674420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.674420 (E_RNA)
where:
Base-Base interactions energy: -108.262
where: short stacking energy: -62.218
Base-Backbone interact. energy: -0.349
local terms energy: -75.063181
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -16.269
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: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -175.367516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.367516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.367516 (E_RNA)
where:
Base-Base interactions energy: -98.727
where: short stacking energy: -50.273
Base-Backbone interact. energy: -0.301
local terms energy: -76.340000
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -13.229
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: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -112.136423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.136423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.136423 (E_RNA)
where:
Base-Base interactions energy: -43.005
where: short stacking energy: -43.005
Base-Backbone interact. energy: -0.168
local terms energy: -68.963393
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -19.026
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -358.366263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.366263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.366263 (E_RNA)
where:
Base-Base interactions energy: -248.218
where: short stacking energy: -97.059
Base-Backbone interact. energy: -0.420
local terms energy: -109.727803
where:
bonds (distance) C4'-P energy: -23.274
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -26.248
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: 109
Temperature: 0.950000
Total energy: -353.472894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.472894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.472894 (E_RNA)
where:
Base-Base interactions energy: -246.557
where: short stacking energy: -98.769
Base-Backbone interact. energy: -0.647
local terms energy: -106.268906
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -22.875
flat angles C4'-P-C4' energy: -25.469
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -354.644257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.644257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.644257 (E_RNA)
where:
Base-Base interactions energy: -259.584
where: short stacking energy: -90.805
Base-Backbone interact. energy: -1.658
local terms energy: -93.403106
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -327.007274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.007274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.007274 (E_RNA)
where:
Base-Base interactions energy: -233.104
where: short stacking energy: -99.448
Base-Backbone interact. energy: -0.403
local terms energy: -93.500051
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -289.250571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.250571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.250571 (E_RNA)
where:
Base-Base interactions energy: -196.916
where: short stacking energy: -86.223
Base-Backbone interact. energy: -0.207
local terms energy: -92.127119
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -243.085876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.085876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.085876 (E_RNA)
where:
Base-Base interactions energy: -152.888
where: short stacking energy: -70.119
Base-Backbone interact. energy: -0.096
local terms energy: -90.101748
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -247.830436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.830436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.830436 (E_RNA)
where:
Base-Base interactions energy: -157.521
where: short stacking energy: -69.559
Base-Backbone interact. energy: -0.510
local terms energy: -89.799403
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -170.226552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.226552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.226552 (E_RNA)
where:
Base-Base interactions energy: -108.388
where: short stacking energy: -49.341
Base-Backbone interact. energy: -0.206
local terms energy: -61.631860
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -173.770662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.770662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.770662 (E_RNA)
where:
Base-Base interactions energy: -99.610
where: short stacking energy: -53.818
Base-Backbone interact. energy: -0.187
local terms energy: -73.973401
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -9.238
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: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -99.857231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.857231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.857231 (E_RNA)
where:
Base-Base interactions energy: -38.733
where: short stacking energy: -25.111
Base-Backbone interact. energy: -0.338
local terms energy: -60.786120
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -12.410
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: 1, replica: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -357.164231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.164231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.164231 (E_RNA)
where:
Base-Base interactions energy: -254.096
where: short stacking energy: -103.474
Base-Backbone interact. energy: -0.845
local terms energy: -102.223050
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -26.542
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: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -349.675554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.675554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.675554 (E_RNA)
where:
Base-Base interactions energy: -258.163
where: short stacking energy: -93.867
Base-Backbone interact. energy: -0.383
local terms energy: -91.129301
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -22.445
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: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -344.164270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.164270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.164270 (E_RNA)
where:
Base-Base interactions energy: -251.173
where: short stacking energy: -95.039
Base-Backbone interact. energy: -0.429
local terms energy: -92.563006
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -21.605
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: 110
Temperature: 1.050000
Total energy: -300.076981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.076981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.076981 (E_RNA)
where:
Base-Base interactions energy: -211.182
where: short stacking energy: -82.408
Base-Backbone interact. energy: 0.217
local terms energy: -89.112104
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -24.895
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: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -290.929639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.929639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.929639 (E_RNA)
where:
Base-Base interactions energy: -199.452
where: short stacking energy: -89.070
Base-Backbone interact. energy: -0.306
local terms energy: -91.171437
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -25.204
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: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -243.828291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.828291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.828291 (E_RNA)
where:
Base-Base interactions energy: -164.584
where: short stacking energy: -69.458
Base-Backbone interact. energy: -0.899
local terms energy: -78.345105
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -235.401130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.401130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.401130 (E_RNA)
where:
Base-Base interactions energy: -152.374
where: short stacking energy: -76.315
Base-Backbone interact. energy: -0.461
local terms energy: -82.566134
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -169.392221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.392221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.392221 (E_RNA)
where:
Base-Base interactions energy: -113.377
where: short stacking energy: -54.063
Base-Backbone interact. energy: -0.689
local terms energy: -55.326448
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -169.160232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.160232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.160232 (E_RNA)
where:
Base-Base interactions energy: -104.641
where: short stacking energy: -40.640
Base-Backbone interact. energy: -0.498
local terms energy: -64.021213
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -14.532
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: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -104.154198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.154198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.154198 (E_RNA)
where:
Base-Base interactions energy: -41.726
where: short stacking energy: -39.048
Base-Backbone interact. energy: 0.979
local terms energy: -63.407498
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -15.473
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: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -354.514734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.514734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.514734 (E_RNA)
where:
Base-Base interactions energy: -247.295
where: short stacking energy: -87.268
Base-Backbone interact. energy: -0.278
local terms energy: -106.942084
where:
bonds (distance) C4'-P energy: -22.906
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -345.235576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.235576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.235576 (E_RNA)
where:
Base-Base interactions energy: -241.629
where: short stacking energy: -95.205
Base-Backbone interact. energy: -0.564
local terms energy: -103.041956
where:
bonds (distance) C4'-P energy: -22.423
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -20.266
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: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -344.354311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.354311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.354311 (E_RNA)
where:
Base-Base interactions energy: -244.268
where: short stacking energy: -89.858
Base-Backbone interact. energy: -0.188
local terms energy: -99.897892
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -12.262
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: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -314.125457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.125457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.125457 (E_RNA)
where:
Base-Base interactions energy: -209.338
where: short stacking energy: -101.893
Base-Backbone interact. energy: -0.099
local terms energy: -104.688111
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -27.238
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: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -321.299403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.299403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.299403 (E_RNA)
where:
Base-Base interactions energy: -216.205
where: short stacking energy: -87.117
Base-Backbone interact. energy: -0.446
local terms energy: -104.648419
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -27.415
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: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -249.112478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.112478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.112478 (E_RNA)
where:
Base-Base interactions energy: -163.883
where: short stacking energy: -71.325
Base-Backbone interact. energy: -0.567
local terms energy: -84.662681
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -19.989
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: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -234.553415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.553415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.553415 (E_RNA)
where:
Base-Base interactions energy: -153.746
where: short stacking energy: -67.653
Base-Backbone interact. energy: -0.026
local terms energy: -80.781470
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -10.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -202.208824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.208824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.208824 (E_RNA)
where:
Base-Base interactions energy: -135.348
where: short stacking energy: -60.731
Base-Backbone interact. energy: -1.080
local terms energy: -65.780349
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -10.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -162.266327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.266327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.266327 (E_RNA)
where:
Base-Base interactions energy: -90.806
where: short stacking energy: -45.032
Base-Backbone interact. energy: 0.088
local terms energy: -71.548590
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -23.244
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -110.375617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.375617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.375617 (E_RNA)
where:
Base-Base interactions energy: -41.519
where: short stacking energy: -22.863
Base-Backbone interact. energy: -0.525
local terms energy: -68.331955
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -9.121
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: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -353.360781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.360781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.360781 (E_RNA)
where:
Base-Base interactions energy: -254.647
where: short stacking energy: -92.956
Base-Backbone interact. energy: -0.038
local terms energy: -98.675712
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -20.545
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: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -351.212953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.212953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.212953 (E_RNA)
where:
Base-Base interactions energy: -252.431
where: short stacking energy: -88.543
Base-Backbone interact. energy: 0.278
local terms energy: -99.059825
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -22.994
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -19.997
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: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -317.342345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.342345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.342345 (E_RNA)
where:
Base-Base interactions energy: -224.482
where: short stacking energy: -87.596
Base-Backbone interact. energy: -0.146
local terms energy: -92.714081
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -24.407
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: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -327.218908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.218908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.218908 (E_RNA)
where:
Base-Base interactions energy: -227.415
where: short stacking energy: -97.503
Base-Backbone interact. energy: -0.294
local terms energy: -99.510132
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -21.734
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -23.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -309.414671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.414671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.414671 (E_RNA)
where:
Base-Base interactions energy: -214.151
where: short stacking energy: -92.168
Base-Backbone interact. energy: -0.010
local terms energy: -95.253567
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -26.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -246.248245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.248245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.248245 (E_RNA)
where:
Base-Base interactions energy: -161.007
where: short stacking energy: -75.586
Base-Backbone interact. energy: -0.968
local terms energy: -84.273339
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -20.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -229.737088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.737088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.737088 (E_RNA)
where:
Base-Base interactions energy: -147.259
where: short stacking energy: -73.192
Base-Backbone interact. energy: -0.510
local terms energy: -81.967618
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -173.175086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.175086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.175086 (E_RNA)
where:
Base-Base interactions energy: -109.437
where: short stacking energy: -41.079
Base-Backbone interact. energy: -0.275
local terms energy: -63.462721
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -104.161724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.161724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.161724 (E_RNA)
where:
Base-Base interactions energy: -30.934
where: short stacking energy: -30.934
Base-Backbone interact. energy: -0.325
local terms energy: -72.902708
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -152.210814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.210814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.210814 (E_RNA)
where:
Base-Base interactions energy: -98.928
where: short stacking energy: -52.279
Base-Backbone interact. energy: -0.581
local terms energy: -52.701669
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -4.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -353.341707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.341707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.341707 (E_RNA)
where:
Base-Base interactions energy: -254.706
where: short stacking energy: -93.270
Base-Backbone interact. energy: -0.263
local terms energy: -98.372459
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -23.263
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: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -352.460899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.460899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.460899 (E_RNA)
where:
Base-Base interactions energy: -244.640
where: short stacking energy: -90.974
Base-Backbone interact. energy: -0.159
local terms energy: -107.661976
where:
bonds (distance) C4'-P energy: -21.426
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: -24.809
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: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -320.536467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.536467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.536467 (E_RNA)
where:
Base-Base interactions energy: -217.339
where: short stacking energy: -99.679
Base-Backbone interact. energy: -0.097
local terms energy: -103.100588
where:
bonds (distance) C4'-P energy: -21.806
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -25.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -334.848653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.848653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.848653 (E_RNA)
where:
Base-Base interactions energy: -240.307
where: short stacking energy: -86.157
Base-Backbone interact. energy: -0.185
local terms energy: -94.357136
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -23.460
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: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -313.183750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.183750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.183750 (E_RNA)
where:
Base-Base interactions energy: -227.763
where: short stacking energy: -99.375
Base-Backbone interact. energy: 1.303
local terms energy: -86.724017
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -26.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -247.350808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.350808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.350808 (E_RNA)
where:
Base-Base interactions energy: -151.756
where: short stacking energy: -82.822
Base-Backbone interact. energy: -0.037
local terms energy: -95.557009
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -21.954
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: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -233.771715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.771715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.771715 (E_RNA)
where:
Base-Base interactions energy: -162.969
where: short stacking energy: -63.684
Base-Backbone interact. energy: 0.620
local terms energy: -71.423104
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: 0.132
tors. eta vs tors. theta energy: -18.305
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: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -168.989298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.989298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.989298 (E_RNA)
where:
Base-Base interactions energy: -88.451
where: short stacking energy: -43.687
Base-Backbone interact. energy: -0.309
local terms energy: -80.229475
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -124.882574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.882574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.882574 (E_RNA)
where:
Base-Base interactions energy: -70.135
where: short stacking energy: -41.635
Base-Backbone interact. energy: 1.810
local terms energy: -56.557740
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -106.097208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.097208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.097208 (E_RNA)
where:
Base-Base interactions energy: -39.579
where: short stacking energy: -33.296
Base-Backbone interact. energy: -0.215
local terms energy: -66.302282
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -364.316901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.316901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.316901 (E_RNA)
where:
Base-Base interactions energy: -265.310
where: short stacking energy: -102.683
Base-Backbone interact. energy: -0.232
local terms energy: -98.774367
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -25.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -364.988274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.988274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.988274 (E_RNA)
where:
Base-Base interactions energy: -261.104
where: short stacking energy: -97.766
Base-Backbone interact. energy: -1.483
local terms energy: -102.401930
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -22.851
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -24.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -332.874112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.874112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.874112 (E_RNA)
where:
Base-Base interactions energy: -236.779
where: short stacking energy: -95.471
Base-Backbone interact. energy: -0.180
local terms energy: -95.915725
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -25.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -339.031041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.031041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.031041 (E_RNA)
where:
Base-Base interactions energy: -247.155
where: short stacking energy: -92.397
Base-Backbone interact. energy: -0.402
local terms energy: -91.473580
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -22.590
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: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -303.796449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.796449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.796449 (E_RNA)
where:
Base-Base interactions energy: -210.364
where: short stacking energy: -89.395
Base-Backbone interact. energy: 0.347
local terms energy: -93.779679
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -24.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -235.871934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.871934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.871934 (E_RNA)
where:
Base-Base interactions energy: -159.727
where: short stacking energy: -74.125
Base-Backbone interact. energy: -0.276
local terms energy: -75.868988
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -17.537
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: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -246.932504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.932504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.932504 (E_RNA)
where:
Base-Base interactions energy: -161.077
where: short stacking energy: -67.462
Base-Backbone interact. energy: -0.868
local terms energy: -84.987544
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -178.557276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.557276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.557276 (E_RNA)
where:
Base-Base interactions energy: -110.553
where: short stacking energy: -62.452
Base-Backbone interact. energy: -0.170
local terms energy: -67.834370
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -113.241998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.241998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.241998 (E_RNA)
where:
Base-Base interactions energy: -56.062
where: short stacking energy: -45.260
Base-Backbone interact. energy: -0.280
local terms energy: -56.899269
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -104.669381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.669381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.669381 (E_RNA)
where:
Base-Base interactions energy: -43.222
where: short stacking energy: -36.605
Base-Backbone interact. energy: -0.310
local terms energy: -61.137627
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -356.337622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.337622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.337622 (E_RNA)
where:
Base-Base interactions energy: -252.637
where: short stacking energy: -98.603
Base-Backbone interact. energy: -0.077
local terms energy: -103.623125
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -23.691
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: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -336.900597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.900597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.900597 (E_RNA)
where:
Base-Base interactions energy: -242.864
where: short stacking energy: -99.676
Base-Backbone interact. energy: -0.262
local terms energy: -93.774540
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -22.867
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: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -351.697339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.697339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.697339 (E_RNA)
where:
Base-Base interactions energy: -256.113
where: short stacking energy: -97.247
Base-Backbone interact. energy: 1.099
local terms energy: -96.683963
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -23.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -337.714959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.714959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.714959 (E_RNA)
where:
Base-Base interactions energy: -236.770
where: short stacking energy: -95.716
Base-Backbone interact. energy: 0.035
local terms energy: -100.979017
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -303.391741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.391741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.391741 (E_RNA)
where:
Base-Base interactions energy: -205.304
where: short stacking energy: -93.553
Base-Backbone interact. energy: -0.184
local terms energy: -97.904369
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -25.322
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: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -260.045301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.045301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.045301 (E_RNA)
where:
Base-Base interactions energy: -170.880
where: short stacking energy: -76.047
Base-Backbone interact. energy: -0.238
local terms energy: -88.927505
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -231.748317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.748317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.748317 (E_RNA)
where:
Base-Base interactions energy: -134.022
where: short stacking energy: -67.288
Base-Backbone interact. energy: -0.383
local terms energy: -97.343287
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -179.061313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.061313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.061313 (E_RNA)
where:
Base-Base interactions energy: -106.476
where: short stacking energy: -48.436
Base-Backbone interact. energy: 1.119
local terms energy: -73.704630
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -113.495449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.495449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.495449 (E_RNA)
where:
Base-Base interactions energy: -47.281
where: short stacking energy: -40.968
Base-Backbone interact. energy: -0.053
local terms energy: -66.161603
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -5.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -108.750436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.750436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.750436 (E_RNA)
where:
Base-Base interactions energy: -47.944
where: short stacking energy: -33.366
Base-Backbone interact. energy: 1.009
local terms energy: -61.815573
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: 1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -358.805420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.805420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.805420 (E_RNA)
where:
Base-Base interactions energy: -264.468
where: short stacking energy: -94.363
Base-Backbone interact. energy: -1.789
local terms energy: -92.547834
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -22.804
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -324.464513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.464513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.464513 (E_RNA)
where:
Base-Base interactions energy: -221.336
where: short stacking energy: -93.161
Base-Backbone interact. energy: -0.070
local terms energy: -103.057876
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -22.789
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -25.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -348.506586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.506586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.506586 (E_RNA)
where:
Base-Base interactions energy: -244.677
where: short stacking energy: -98.868
Base-Backbone interact. energy: -0.037
local terms energy: -103.792816
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -28.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -337.924998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.924998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.924998 (E_RNA)
where:
Base-Base interactions energy: -249.400
where: short stacking energy: -94.327
Base-Backbone interact. energy: 1.911
local terms energy: -90.436787
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -19.532
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: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -300.178519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.178519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.178519 (E_RNA)
where:
Base-Base interactions energy: -205.653
where: short stacking energy: -92.553
Base-Backbone interact. energy: 0.865
local terms energy: -95.389811
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -25.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -245.944424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.944424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.944424 (E_RNA)
where:
Base-Base interactions energy: -162.832
where: short stacking energy: -74.848
Base-Backbone interact. energy: -0.547
local terms energy: -82.565423
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -17.117
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: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -240.028182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.028182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.028182 (E_RNA)
where:
Base-Base interactions energy: -164.790
where: short stacking energy: -71.651
Base-Backbone interact. energy: 0.077
local terms energy: -75.315225
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -9.673
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: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -186.647421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.647421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.647421 (E_RNA)
where:
Base-Base interactions energy: -104.248
where: short stacking energy: -59.756
Base-Backbone interact. energy: -0.125
local terms energy: -82.274546
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -23.759
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -154.769832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.769832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.769832 (E_RNA)
where:
Base-Base interactions energy: -81.597
where: short stacking energy: -47.583
Base-Backbone interact. energy: -0.125
local terms energy: -73.047966
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -133.958475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.958475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.958475 (E_RNA)
where:
Base-Base interactions energy: -76.306
where: short stacking energy: -53.604
Base-Backbone interact. energy: 0.375
local terms energy: -58.027798
where:
bonds (distance) C4'-P energy: -6.397
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -6.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -368.731923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.731923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.731923 (E_RNA)
where:
Base-Base interactions energy: -261.039
where: short stacking energy: -97.055
Base-Backbone interact. energy: -0.525
local terms energy: -107.167249
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -25.058
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -354.608532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.608532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.608532 (E_RNA)
where:
Base-Base interactions energy: -250.157
where: short stacking energy: -106.465
Base-Backbone interact. energy: -0.002
local terms energy: -104.449750
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -26.254
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: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -323.189602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.189602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.189602 (E_RNA)
where:
Base-Base interactions energy: -230.821
where: short stacking energy: -92.498
Base-Backbone interact. energy: -0.098
local terms energy: -92.270777
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -23.005
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: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -301.293367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.293367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.293367 (E_RNA)
where:
Base-Base interactions energy: -203.996
where: short stacking energy: -101.315
Base-Backbone interact. energy: 5.514
local terms energy: -102.811880
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -25.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -331.210609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.210609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.210609 (E_RNA)
where:
Base-Base interactions energy: -239.908
where: short stacking energy: -85.773
Base-Backbone interact. energy: -0.524
local terms energy: -90.777964
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -21.778
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -265.058134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.058134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.058134 (E_RNA)
where:
Base-Base interactions energy: -172.541
where: short stacking energy: -72.919
Base-Backbone interact. energy: -0.679
local terms energy: -91.837765
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -13.053
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: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -234.505287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.505287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.505287 (E_RNA)
where:
Base-Base interactions energy: -144.817
where: short stacking energy: -71.395
Base-Backbone interact. energy: -0.503
local terms energy: -89.184484
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -20.940
flat angles P-C4'-P energy: -13.186
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: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -171.666068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.666068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.666068 (E_RNA)
where:
Base-Base interactions energy: -95.859
where: short stacking energy: -65.267
Base-Backbone interact. energy: 3.190
local terms energy: -78.997321
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -13.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -170.715450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.715450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.715450 (E_RNA)
where:
Base-Base interactions energy: -98.321
where: short stacking energy: -56.419
Base-Backbone interact. energy: -0.513
local terms energy: -71.881208
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -12.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -106.961537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.961537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.961537 (E_RNA)
where:
Base-Base interactions energy: -44.461
where: short stacking energy: -37.353
Base-Backbone interact. energy: -0.349
local terms energy: -62.151231
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -5.689
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: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -368.557258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.557258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.557258 (E_RNA)
where:
Base-Base interactions energy: -267.210
where: short stacking energy: -98.114
Base-Backbone interact. energy: -0.667
local terms energy: -100.680736
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -22.945
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -24.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -346.742611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.742611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.742611 (E_RNA)
where:
Base-Base interactions energy: -252.450
where: short stacking energy: -98.510
Base-Backbone interact. energy: -0.002
local terms energy: -94.290117
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -291.925868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.925868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.925868 (E_RNA)
where:
Base-Base interactions energy: -190.303
where: short stacking energy: -85.950
Base-Backbone interact. energy: 0.033
local terms energy: -101.656144
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -25.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -313.175750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.175750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.175750 (E_RNA)
where:
Base-Base interactions energy: -219.572
where: short stacking energy: -95.957
Base-Backbone interact. energy: -0.042
local terms energy: -93.562381
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -23.934
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: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -333.809636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.809636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.809636 (E_RNA)
where:
Base-Base interactions energy: -238.197
where: short stacking energy: -92.966
Base-Backbone interact. energy: -0.020
local terms energy: -95.592229
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -25.534
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: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -268.928423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.928423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.928423 (E_RNA)
where:
Base-Base interactions energy: -175.864
where: short stacking energy: -71.874
Base-Backbone interact. energy: -0.673
local terms energy: -92.391701
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -22.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -239.347630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.347630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.347630 (E_RNA)
where:
Base-Base interactions energy: -144.819
where: short stacking energy: -75.093
Base-Backbone interact. energy: -0.100
local terms energy: -94.428433
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -22.750
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -167.219648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.219648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.219648 (E_RNA)
where:
Base-Base interactions energy: -95.030
where: short stacking energy: -63.997
Base-Backbone interact. energy: 1.418
local terms energy: -73.606999
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -11.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -107.414504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.414504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.414504 (E_RNA)
where:
Base-Base interactions energy: -42.958
where: short stacking energy: -37.317
Base-Backbone interact. energy: -2.201
local terms energy: -62.255167
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -4.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -166.786007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.786007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.786007 (E_RNA)
where:
Base-Base interactions energy: -94.903
where: short stacking energy: -47.241
Base-Backbone interact. energy: -0.396
local terms energy: -71.487212
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -5.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -365.579853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.579853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.579853 (E_RNA)
where:
Base-Base interactions energy: -266.865
where: short stacking energy: -102.925
Base-Backbone interact. energy: -0.118
local terms energy: -98.597728
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -15.430
tors. eta vs tors. theta energy: -25.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -349.738081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.738081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.738081 (E_RNA)
where:
Base-Base interactions energy: -241.592
where: short stacking energy: -95.632
Base-Backbone interact. energy: -0.467
local terms energy: -107.679331
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -20.940
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -27.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -317.979133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.979133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.979133 (E_RNA)
where:
Base-Base interactions energy: -223.601
where: short stacking energy: -98.129
Base-Backbone interact. energy: -0.245
local terms energy: -94.133552
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -26.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -345.430248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.430248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.430248 (E_RNA)
where:
Base-Base interactions energy: -244.505
where: short stacking energy: -98.505
Base-Backbone interact. energy: -0.774
local terms energy: -100.151665
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -23.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -305.832077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.832077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.832077 (E_RNA)
where:
Base-Base interactions energy: -206.242
where: short stacking energy: -86.197
Base-Backbone interact. energy: -0.164
local terms energy: -99.425203
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -25.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -244.127465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.127465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.127465 (E_RNA)
where:
Base-Base interactions energy: -161.948
where: short stacking energy: -80.005
Base-Backbone interact. energy: -0.051
local terms energy: -82.128575
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -17.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -242.131138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.131138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.131138 (E_RNA)
where:
Base-Base interactions energy: -166.364
where: short stacking energy: -70.147
Base-Backbone interact. energy: -0.099
local terms energy: -75.667932
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -14.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -131.399020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.399020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.399020 (E_RNA)
where:
Base-Base interactions energy: -57.555
where: short stacking energy: -31.956
Base-Backbone interact. energy: 0.047
local terms energy: -73.890915
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -16.459
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: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -121.602767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.602767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.602767 (E_RNA)
where:
Base-Base interactions energy: -57.507
where: short stacking energy: -42.385
Base-Backbone interact. energy: -0.111
local terms energy: -63.985414
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -166.249411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.249411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.249411 (E_RNA)
where:
Base-Base interactions energy: -102.303
where: short stacking energy: -46.688
Base-Backbone interact. energy: 1.683
local terms energy: -65.628928
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -10.970
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: 1, replica: 10
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -348.264059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.264059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.264059 (E_RNA)
where:
Base-Base interactions energy: -239.989
where: short stacking energy: -101.026
Base-Backbone interact. energy: -0.004
local terms energy: -108.271163
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -27.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -352.701990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.701990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.701990 (E_RNA)
where:
Base-Base interactions energy: -257.706
where: short stacking energy: -94.337
Base-Backbone interact. energy: -0.477
local terms energy: -94.519413
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -15.901
tors. eta vs tors. theta energy: -23.866
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: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -324.043705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.043705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.043705 (E_RNA)
where:
Base-Base interactions energy: -228.595
where: short stacking energy: -89.527
Base-Backbone interact. energy: -0.853
local terms energy: -94.595454
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -27.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -347.130786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.130786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.130786 (E_RNA)
where:
Base-Base interactions energy: -247.392
where: short stacking energy: -91.916
Base-Backbone interact. energy: -0.384
local terms energy: -99.355213
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -24.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -285.133254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.133254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.133254 (E_RNA)
where:
Base-Base interactions energy: -208.374
where: short stacking energy: -85.860
Base-Backbone interact. energy: 0.928
local terms energy: -77.687716
where:
bonds (distance) C4'-P energy: -9.803
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -15.293
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: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -249.123623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.123623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.123623 (E_RNA)
where:
Base-Base interactions energy: -160.683
where: short stacking energy: -73.791
Base-Backbone interact. energy: -0.318
local terms energy: -88.122789
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -243.976014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.976014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.976014 (E_RNA)
where:
Base-Base interactions energy: -155.332
where: short stacking energy: -70.058
Base-Backbone interact. energy: -0.143
local terms energy: -88.501247
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -20.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -112.333765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.333765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.333765 (E_RNA)
where:
Base-Base interactions energy: -48.350
where: short stacking energy: -48.350
Base-Backbone interact. energy: -0.104
local terms energy: -63.879024
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -157.553747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.553747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.553747 (E_RNA)
where:
Base-Base interactions energy: -86.414
where: short stacking energy: -44.572
Base-Backbone interact. energy: -0.387
local terms energy: -70.753401
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -139.160522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.160522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.160522 (E_RNA)
where:
Base-Base interactions energy: -59.224
where: short stacking energy: -59.224
Base-Backbone interact. energy: -0.142
local terms energy: -79.794352
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -12.650
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: 1, replica: 10
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -344.496566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.496566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.496566 (E_RNA)
where:
Base-Base interactions energy: -247.036
where: short stacking energy: -95.693
Base-Backbone interact. energy: -0.119
local terms energy: -97.341357
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -23.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -347.246960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.246960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.246960 (E_RNA)
where:
Base-Base interactions energy: -252.029
where: short stacking energy: -94.811
Base-Backbone interact. energy: 0.629
local terms energy: -95.846306
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -22.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -320.511783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.511783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.511783 (E_RNA)
where:
Base-Base interactions energy: -214.687
where: short stacking energy: -93.991
Base-Backbone interact. energy: -0.003
local terms energy: -105.821884
where:
bonds (distance) C4'-P energy: -22.065
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -27.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -302.941730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.941730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.941730 (E_RNA)
where:
Base-Base interactions energy: -218.286
where: short stacking energy: -83.434
Base-Backbone interact. energy: -0.154
local terms energy: -84.502105
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -17.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -318.578488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.578488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.578488 (E_RNA)
where:
Base-Base interactions energy: -225.862
where: short stacking energy: -96.754
Base-Backbone interact. energy: -0.189
local terms energy: -92.527693
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -23.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -247.589826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.589826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.589826 (E_RNA)
where:
Base-Base interactions energy: -163.955
where: short stacking energy: -70.353
Base-Backbone interact. energy: -0.909
local terms energy: -82.725687
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -241.685365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.685365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.685365 (E_RNA)
where:
Base-Base interactions energy: -158.205
where: short stacking energy: -81.974
Base-Backbone interact. energy: -0.551
local terms energy: -82.930012
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -167.733336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.733336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.733336 (E_RNA)
where:
Base-Base interactions energy: -101.514
where: short stacking energy: -50.000
Base-Backbone interact. energy: -0.746
local terms energy: -65.473144
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -112.101917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.101917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.101917 (E_RNA)
where:
Base-Base interactions energy: -46.620
where: short stacking energy: -29.693
Base-Backbone interact. energy: -1.328
local terms energy: -64.154338
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -92.583187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.583187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.583187 (E_RNA)
where:
Base-Base interactions energy: -27.535
where: short stacking energy: -24.658
Base-Backbone interact. energy: -0.349
local terms energy: -64.699069
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: 3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -351.101506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.101506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.101506 (E_RNA)
where:
Base-Base interactions energy: -255.835
where: short stacking energy: -95.873
Base-Backbone interact. energy: -0.427
local terms energy: -94.840329
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -343.609501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.609501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.609501 (E_RNA)
where:
Base-Base interactions energy: -246.986
where: short stacking energy: -91.918
Base-Backbone interact. energy: -0.197
local terms energy: -96.426374
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -24.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -319.423933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.423933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.423933 (E_RNA)
where:
Base-Base interactions energy: -224.071
where: short stacking energy: -91.205
Base-Backbone interact. energy: -0.115
local terms energy: -95.238656
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -308.986149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.986149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.986149 (E_RNA)
where:
Base-Base interactions energy: -212.011
where: short stacking energy: -88.901
Base-Backbone interact. energy: -0.003
local terms energy: -96.972453
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -26.440
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: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -327.782883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.782883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.782883 (E_RNA)
where:
Base-Base interactions energy: -225.411
where: short stacking energy: -91.469
Base-Backbone interact. energy: -0.003
local terms energy: -102.369319
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -26.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -236.770334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.770334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.770334 (E_RNA)
where:
Base-Base interactions energy: -148.707
where: short stacking energy: -70.039
Base-Backbone interact. energy: 0.445
local terms energy: -88.507720
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -14.948
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: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -244.066934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.066934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.066934 (E_RNA)
where:
Base-Base interactions energy: -157.933
where: short stacking energy: -72.332
Base-Backbone interact. energy: 0.974
local terms energy: -87.108054
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -186.605587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.605587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.605587 (E_RNA)
where:
Base-Base interactions energy: -108.295
where: short stacking energy: -59.331
Base-Backbone interact. energy: -0.269
local terms energy: -78.041971
where:
bonds (distance) C4'-P energy: -5.990
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -10.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -161.716836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.716836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.716836 (E_RNA)
where:
Base-Base interactions energy: -102.023
where: short stacking energy: -49.950
Base-Backbone interact. energy: -0.116
local terms energy: -59.577830
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -7.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -107.269355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.269355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.269355 (E_RNA)
where:
Base-Base interactions energy: -41.781
where: short stacking energy: -41.781
Base-Backbone interact. energy: -0.400
local terms energy: -65.088751
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -356.238211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.238211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.238211 (E_RNA)
where:
Base-Base interactions energy: -259.914
where: short stacking energy: -91.212
Base-Backbone interact. energy: -0.498
local terms energy: -95.826355
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -20.765
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -20.960
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: 2, replica: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -347.544130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.544130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.544130 (E_RNA)
where:
Base-Base interactions energy: -246.658
where: short stacking energy: -93.937
Base-Backbone interact. energy: -0.077
local terms energy: -100.809612
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -25.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -330.286545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.286545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.286545 (E_RNA)
where:
Base-Base interactions energy: -219.404
where: short stacking energy: -96.728
Base-Backbone interact. energy: -0.034
local terms energy: -110.848632
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -18.013
tors. eta vs tors. theta energy: -29.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -333.405799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.405799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.405799 (E_RNA)
where:
Base-Base interactions energy: -233.528
where: short stacking energy: -91.164
Base-Backbone interact. energy: -0.001
local terms energy: -99.876836
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -28.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -314.653377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.653377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.653377 (E_RNA)
where:
Base-Base interactions energy: -221.216
where: short stacking energy: -91.919
Base-Backbone interact. energy: -0.864
local terms energy: -92.573561
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -20.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -244.023157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.023157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.023157 (E_RNA)
where:
Base-Base interactions energy: -154.242
where: short stacking energy: -84.611
Base-Backbone interact. energy: 0.665
local terms energy: -90.446432
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -12.605
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: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -240.326149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.326149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.326149 (E_RNA)
where:
Base-Base interactions energy: -164.722
where: short stacking energy: -80.441
Base-Backbone interact. energy: -0.384
local terms energy: -75.220571
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -19.636
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: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -191.789370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.789370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.789370 (E_RNA)
where:
Base-Base interactions energy: -120.497
where: short stacking energy: -64.647
Base-Backbone interact. energy: 2.442
local terms energy: -73.734490
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -15.448
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: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -181.307496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.307496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.307496 (E_RNA)
where:
Base-Base interactions energy: -116.169
where: short stacking energy: -51.686
Base-Backbone interact. energy: -0.192
local terms energy: -64.946988
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -96.797026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.797026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.797026 (E_RNA)
where:
Base-Base interactions energy: -32.035
where: short stacking energy: -32.035
Base-Backbone interact. energy: 1.503
local terms energy: -66.265008
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: 0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -353.918950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.918950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.918950 (E_RNA)
where:
Base-Base interactions energy: -244.114
where: short stacking energy: -101.700
Base-Backbone interact. energy: -0.062
local terms energy: -109.742669
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -27.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -355.757614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.757614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.757614 (E_RNA)
where:
Base-Base interactions energy: -258.468
where: short stacking energy: -96.250
Base-Backbone interact. energy: -0.088
local terms energy: -97.201585
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -22.975
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: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -347.270368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.270368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.270368 (E_RNA)
where:
Base-Base interactions energy: -252.752
where: short stacking energy: -103.596
Base-Backbone interact. energy: 0.066
local terms energy: -94.583879
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -28.469
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: 124
Temperature: 1.050000
Total energy: -314.247499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.247499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.247499 (E_RNA)
where:
Base-Base interactions energy: -211.272
where: short stacking energy: -99.948
Base-Backbone interact. energy: -0.365
local terms energy: -102.610542
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -27.324
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: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -297.153296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.153296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.153296 (E_RNA)
where:
Base-Base interactions energy: -216.413
where: short stacking energy: -98.306
Base-Backbone interact. energy: 0.445
local terms energy: -81.185964
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -23.487
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: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -235.538663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.538663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.538663 (E_RNA)
where:
Base-Base interactions energy: -147.322
where: short stacking energy: -74.983
Base-Backbone interact. energy: -0.073
local terms energy: -88.144584
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -18.682
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: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -219.031472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.031472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.031472 (E_RNA)
where:
Base-Base interactions energy: -142.579
where: short stacking energy: -67.464
Base-Backbone interact. energy: -0.240
local terms energy: -76.213462
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -192.930566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.930566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.930566 (E_RNA)
where:
Base-Base interactions energy: -109.117
where: short stacking energy: -53.999
Base-Backbone interact. energy: 0.083
local terms energy: -83.896164
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -21.400
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -166.173758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.173758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.173758 (E_RNA)
where:
Base-Base interactions energy: -96.654
where: short stacking energy: -47.627
Base-Backbone interact. energy: -0.135
local terms energy: -69.385152
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -104.542165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.542165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.542165 (E_RNA)
where:
Base-Base interactions energy: -34.383
where: short stacking energy: -26.965
Base-Backbone interact. energy: -0.115
local terms energy: -70.044973
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -347.389084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.389084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.389084 (E_RNA)
where:
Base-Base interactions energy: -242.555
where: short stacking energy: -97.170
Base-Backbone interact. energy: -0.034
local terms energy: -104.800840
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -23.043
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: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -348.638551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.638551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.638551 (E_RNA)
where:
Base-Base interactions energy: -242.206
where: short stacking energy: -102.602
Base-Backbone interact. energy: -0.005
local terms energy: -106.426754
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -27.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -350.558258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.558258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.558258 (E_RNA)
where:
Base-Base interactions energy: -248.464
where: short stacking energy: -87.725
Base-Backbone interact. energy: -0.422
local terms energy: -101.671975
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -24.891
flat angles P-C4'-P energy: -15.724
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: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -315.462815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.462815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.462815 (E_RNA)
where:
Base-Base interactions energy: -215.119
where: short stacking energy: -95.431
Base-Backbone interact. energy: -0.308
local terms energy: -100.035610
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -17.813
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -28.893
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: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -310.816133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.816133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.816133 (E_RNA)
where:
Base-Base interactions energy: -216.839
where: short stacking energy: -92.202
Base-Backbone interact. energy: -0.956
local terms energy: -93.021542
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -31.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -243.750495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.750495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.750495 (E_RNA)
where:
Base-Base interactions energy: -155.427
where: short stacking energy: -83.907
Base-Backbone interact. energy: -0.064
local terms energy: -88.258801
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -20.064
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -223.625420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.625420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.625420 (E_RNA)
where:
Base-Base interactions energy: -148.609
where: short stacking energy: -65.042
Base-Backbone interact. energy: -0.550
local terms energy: -74.466539
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -12.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -220.939191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.939191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.939191 (E_RNA)
where:
Base-Base interactions energy: -143.000
where: short stacking energy: -65.900
Base-Backbone interact. energy: -0.730
local terms energy: -77.209097
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -13.498
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: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -188.388247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.388247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.388247 (E_RNA)
where:
Base-Base interactions energy: -118.656
where: short stacking energy: -60.325
Base-Backbone interact. energy: -0.541
local terms energy: -69.191411
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -23.933
flat angles P-C4'-P energy: -3.467
tors. eta vs tors. theta energy: -13.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -111.521180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.521180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.521180 (E_RNA)
where:
Base-Base interactions energy: -50.098
where: short stacking energy: -38.824
Base-Backbone interact. energy: -0.738
local terms energy: -60.685835
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -348.558520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.558520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.558520 (E_RNA)
where:
Base-Base interactions energy: -248.497
where: short stacking energy: -95.552
Base-Backbone interact. energy: -0.049
local terms energy: -100.012847
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -24.933
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: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -344.853923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.853923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.853923 (E_RNA)
where:
Base-Base interactions energy: -248.226
where: short stacking energy: -107.804
Base-Backbone interact. energy: -0.162
local terms energy: -96.465197
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -19.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -346.566904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.566904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.566904 (E_RNA)
where:
Base-Base interactions energy: -243.524
where: short stacking energy: -85.667
Base-Backbone interact. energy: -0.882
local terms energy: -102.160890
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -22.838
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -17.294
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: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -318.138176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.138176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.138176 (E_RNA)
where:
Base-Base interactions energy: -220.728
where: short stacking energy: -99.015
Base-Backbone interact. energy: -0.108
local terms energy: -97.301910
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -28.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -261.780775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.780775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.780775 (E_RNA)
where:
Base-Base interactions energy: -181.440
where: short stacking energy: -72.189
Base-Backbone interact. energy: -0.607
local terms energy: -79.733228
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -309.884462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.884462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.884462 (E_RNA)
where:
Base-Base interactions energy: -213.164
where: short stacking energy: -84.115
Base-Backbone interact. energy: -0.041
local terms energy: -96.679129
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -16.457
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: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -267.856637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.856637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.856637 (E_RNA)
where:
Base-Base interactions energy: -180.797
where: short stacking energy: -80.832
Base-Backbone interact. energy: -0.354
local terms energy: -86.705357
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -17.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -222.769423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.769423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.769423 (E_RNA)
where:
Base-Base interactions energy: -139.092
where: short stacking energy: -66.625
Base-Backbone interact. energy: -0.125
local terms energy: -83.552460
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -21.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -181.093258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.093258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.093258 (E_RNA)
where:
Base-Base interactions energy: -117.963
where: short stacking energy: -53.300
Base-Backbone interact. energy: -0.690
local terms energy: -62.440207
where:
bonds (distance) C4'-P energy: -7.471
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -16.420
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: 126
Temperature: 1.350000
Total energy: -115.122373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.122373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.122373 (E_RNA)
where:
Base-Base interactions energy: -49.291
where: short stacking energy: -49.170
Base-Backbone interact. energy: 0.547
local terms energy: -66.378620
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -354.768040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.768040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.768040 (E_RNA)
where:
Base-Base interactions energy: -252.142
where: short stacking energy: -98.263
Base-Backbone interact. energy: -0.677
local terms energy: -101.949136
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -25.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -356.258032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.258032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.258032 (E_RNA)
where:
Base-Base interactions energy: -261.663
where: short stacking energy: -96.038
Base-Backbone interact. energy: -0.612
local terms energy: -93.983347
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -20.156
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: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -349.166339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.166339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.166339 (E_RNA)
where:
Base-Base interactions energy: -245.776
where: short stacking energy: -109.856
Base-Backbone interact. energy: -1.124
local terms energy: -102.266752
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -26.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -321.307292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.307292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.307292 (E_RNA)
where:
Base-Base interactions energy: -217.442
where: short stacking energy: -89.173
Base-Backbone interact. energy: -2.195
local terms energy: -101.670238
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -21.832
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -28.619
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: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -267.763323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.763323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.763323 (E_RNA)
where:
Base-Base interactions energy: -175.662
where: short stacking energy: -69.863
Base-Backbone interact. energy: -1.463
local terms energy: -90.637646
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -279.903763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.903763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.903763 (E_RNA)
where:
Base-Base interactions energy: -190.849
where: short stacking energy: -84.877
Base-Backbone interact. energy: -0.206
local terms energy: -88.848395
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -274.261902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.261902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.261902 (E_RNA)
where:
Base-Base interactions energy: -183.043
where: short stacking energy: -87.192
Base-Backbone interact. energy: -0.045
local terms energy: -91.173883
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -24.251
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: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -213.704034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.704034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.704034 (E_RNA)
where:
Base-Base interactions energy: -131.027
where: short stacking energy: -62.126
Base-Backbone interact. energy: -0.137
local terms energy: -82.540081
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -12.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -152.739242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.739242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.739242 (E_RNA)
where:
Base-Base interactions energy: -82.023
where: short stacking energy: -48.308
Base-Backbone interact. energy: -0.048
local terms energy: -70.668206
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -105.387825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.387825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.387825 (E_RNA)
where:
Base-Base interactions energy: -40.564
where: short stacking energy: -39.309
Base-Backbone interact. energy: 0.101
local terms energy: -64.925343
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -363.448945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.448945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.448945 (E_RNA)
where:
Base-Base interactions energy: -264.863
where: short stacking energy: -94.887
Base-Backbone interact. energy: -0.739
local terms energy: -97.847600
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -345.211774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.211774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.211774 (E_RNA)
where:
Base-Base interactions energy: -241.006
where: short stacking energy: -100.629
Base-Backbone interact. energy: -0.001
local terms energy: -104.204639
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -27.825
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: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -336.185342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.185342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.185342 (E_RNA)
where:
Base-Base interactions energy: -238.262
where: short stacking energy: -92.734
Base-Backbone interact. energy: 0.108
local terms energy: -98.031199
where:
bonds (distance) C4'-P energy: -22.269
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -24.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -299.252159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.252159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.252159 (E_RNA)
where:
Base-Base interactions energy: -209.382
where: short stacking energy: -90.279
Base-Backbone interact. energy: -0.744
local terms energy: -89.125865
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -281.857209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.857209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.857209 (E_RNA)
where:
Base-Base interactions energy: -189.218
where: short stacking energy: -79.491
Base-Backbone interact. energy: 0.604
local terms energy: -93.243790
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -23.135
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: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -268.059804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.059804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.059804 (E_RNA)
where:
Base-Base interactions energy: -184.352
where: short stacking energy: -81.771
Base-Backbone interact. energy: -0.667
local terms energy: -83.040278
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -19.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -271.084861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.084861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.084861 (E_RNA)
where:
Base-Base interactions energy: -181.094
where: short stacking energy: -78.858
Base-Backbone interact. energy: 0.283
local terms energy: -90.274000
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -18.574
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: 128
Temperature: 1.250000
Total energy: -253.649761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.649761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.649761 (E_RNA)
where:
Base-Base interactions energy: -168.757
where: short stacking energy: -78.014
Base-Backbone interact. energy: -0.575
local terms energy: -84.317194
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -23.119
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: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -106.863969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.863969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.863969 (E_RNA)
where:
Base-Base interactions energy: -39.259
where: short stacking energy: -36.086
Base-Backbone interact. energy: -1.038
local terms energy: -66.567017
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: 0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -108.802770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.802770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.802770 (E_RNA)
where:
Base-Base interactions energy: -37.365
where: short stacking energy: -36.183
Base-Backbone interact. energy: -0.156
local terms energy: -71.281616
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -361.863219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.863219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.863219 (E_RNA)
where:
Base-Base interactions energy: -260.118
where: short stacking energy: -97.937
Base-Backbone interact. energy: -0.551
local terms energy: -101.194460
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -20.707
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: -22.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -341.841554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.841554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.841554 (E_RNA)
where:
Base-Base interactions energy: -245.377
where: short stacking energy: -89.041
Base-Backbone interact. energy: -0.410
local terms energy: -96.054311
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -335.015565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.015565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.015565 (E_RNA)
where:
Base-Base interactions energy: -235.963
where: short stacking energy: -94.029
Base-Backbone interact. energy: -0.120
local terms energy: -98.932183
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -22.544
flat angles P-C4'-P energy: -18.417
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: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -307.481977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.481977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.481977 (E_RNA)
where:
Base-Base interactions energy: -208.436
where: short stacking energy: -85.217
Base-Backbone interact. energy: -0.087
local terms energy: -98.958176
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -24.201
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -28.133
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: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -276.085264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.085264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.085264 (E_RNA)
where:
Base-Base interactions energy: -184.418
where: short stacking energy: -77.539
Base-Backbone interact. energy: -0.115
local terms energy: -91.552725
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -266.247441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.247441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.247441 (E_RNA)
where:
Base-Base interactions energy: -170.509
where: short stacking energy: -77.185
Base-Backbone interact. energy: -0.702
local terms energy: -95.036238
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -16.607
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: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -287.649726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.649726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.649726 (E_RNA)
where:
Base-Base interactions energy: -190.659
where: short stacking energy: -74.015
Base-Backbone interact. energy: -0.829
local terms energy: -96.162135
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -225.948663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.948663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.948663 (E_RNA)
where:
Base-Base interactions energy: -153.443
where: short stacking energy: -70.509
Base-Backbone interact. energy: -0.211
local terms energy: -72.294161
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -11.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -128.817751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.817751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.817751 (E_RNA)
where:
Base-Base interactions energy: -64.047
where: short stacking energy: -41.451
Base-Backbone interact. energy: -0.251
local terms energy: -64.520146
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -13.029
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: 10, replica: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -95.690684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.690684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.690684 (E_RNA)
where:
Base-Base interactions energy: -37.047
where: short stacking energy: -30.861
Base-Backbone interact. energy: 0.527
local terms energy: -59.171379
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -354.721214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.721214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.721214 (E_RNA)
where:
Base-Base interactions energy: -252.627
where: short stacking energy: -97.626
Base-Backbone interact. energy: 1.053
local terms energy: -103.148047
where:
bonds (distance) C4'-P energy: -23.002
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -15.343
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: 2, replica: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -366.904925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.904925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.904925 (E_RNA)
where:
Base-Base interactions energy: -259.803
where: short stacking energy: -91.271
Base-Backbone interact. energy: -0.641
local terms energy: -106.460412
where:
bonds (distance) C4'-P energy: -23.419
bonds (distance) P-C4' energy: -21.812
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -20.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -340.880185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.880185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.880185 (E_RNA)
where:
Base-Base interactions energy: -233.389
where: short stacking energy: -95.819
Base-Backbone interact. energy: -0.144
local terms energy: -107.347009
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -23.921
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -24.821
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: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -322.477188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.477188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.477188 (E_RNA)
where:
Base-Base interactions energy: -227.280
where: short stacking energy: -100.580
Base-Backbone interact. energy: -0.409
local terms energy: -94.788726
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -24.906
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: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -283.263504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.263504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.263504 (E_RNA)
where:
Base-Base interactions energy: -195.450
where: short stacking energy: -81.945
Base-Backbone interact. energy: -0.166
local terms energy: -87.646730
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -264.959122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.959122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.959122 (E_RNA)
where:
Base-Base interactions energy: -186.643
where: short stacking energy: -86.667
Base-Backbone interact. energy: 0.159
local terms energy: -78.474894
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -280.013047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.013047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.013047 (E_RNA)
where:
Base-Base interactions energy: -199.119
where: short stacking energy: -81.479
Base-Backbone interact. energy: -1.000
local terms energy: -79.894162
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -229.256007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.256007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.256007 (E_RNA)
where:
Base-Base interactions energy: -145.215
where: short stacking energy: -78.689
Base-Backbone interact. energy: -0.070
local terms energy: -83.970751
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -14.564
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: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -116.224474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.224474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.224474 (E_RNA)
where:
Base-Base interactions energy: -51.584
where: short stacking energy: -23.125
Base-Backbone interact. energy: 0.171
local terms energy: -64.811433
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: 1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -100.009089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.009089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.009089 (E_RNA)
where:
Base-Base interactions energy: -37.513
where: short stacking energy: -32.878
Base-Backbone interact. energy: -0.228
local terms energy: -62.268469
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -355.076359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.076359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.076359 (E_RNA)
where:
Base-Base interactions energy: -247.135
where: short stacking energy: -93.461
Base-Backbone interact. energy: -1.103
local terms energy: -106.838433
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -26.622
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: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -346.695150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.695150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.695150 (E_RNA)
where:
Base-Base interactions energy: -239.882
where: short stacking energy: -94.927
Base-Backbone interact. energy: -0.405
local terms energy: -106.408712
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -18.409
tors. eta vs tors. theta energy: -26.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -347.977409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.977409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.977409 (E_RNA)
where:
Base-Base interactions energy: -253.358
where: short stacking energy: -87.770
Base-Backbone interact. energy: -0.162
local terms energy: -94.457140
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -296.827725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.827725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.827725 (E_RNA)
where:
Base-Base interactions energy: -204.037
where: short stacking energy: -89.567
Base-Backbone interact. energy: -0.595
local terms energy: -92.195460
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -316.360708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.360708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.360708 (E_RNA)
where:
Base-Base interactions energy: -221.050
where: short stacking energy: -93.550
Base-Backbone interact. energy: -0.091
local terms energy: -95.219059
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -26.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -296.826655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.826655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.826655 (E_RNA)
where:
Base-Base interactions energy: -202.807
where: short stacking energy: -87.872
Base-Backbone interact. energy: -0.016
local terms energy: -94.003594
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -29.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -268.877045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.877045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.877045 (E_RNA)
where:
Base-Base interactions energy: -181.980
where: short stacking energy: -85.122
Base-Backbone interact. energy: -0.345
local terms energy: -86.551813
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -20.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -230.082096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.082096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.082096 (E_RNA)
where:
Base-Base interactions energy: -145.885
where: short stacking energy: -76.073
Base-Backbone interact. energy: -0.330
local terms energy: -83.866326
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -23.779
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -115.547381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.547381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.547381 (E_RNA)
where:
Base-Base interactions energy: -49.658
where: short stacking energy: -33.220
Base-Backbone interact. energy: -0.831
local terms energy: -65.058548
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -8.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -95.787073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.787073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.787073 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -32.652
Base-Backbone interact. energy: -0.239
local terms energy: -60.989611
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -3.581
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -361.147303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.147303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.147303 (E_RNA)
where:
Base-Base interactions energy: -255.545
where: short stacking energy: -95.528
Base-Backbone interact. energy: -0.106
local terms energy: -105.496082
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -27.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -355.807665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.807665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.807665 (E_RNA)
where:
Base-Base interactions energy: -249.385
where: short stacking energy: -97.852
Base-Backbone interact. energy: -0.087
local terms energy: -106.336098
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -26.689
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: 132
Temperature: 1.000000
Total energy: -358.604961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.604961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.604961 (E_RNA)
where:
Base-Base interactions energy: -255.692
where: short stacking energy: -95.715
Base-Backbone interact. energy: -0.471
local terms energy: -102.442940
where:
bonds (distance) C4'-P energy: -22.678
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -16.431
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: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -295.163263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.163263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.163263 (E_RNA)
where:
Base-Base interactions energy: -194.234
where: short stacking energy: -91.487
Base-Backbone interact. energy: -0.047
local terms energy: -100.882165
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -24.288
flat angles P-C4'-P energy: -17.019
tors. eta vs tors. theta energy: -24.489
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: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -305.142785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.142785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.142785 (E_RNA)
where:
Base-Base interactions energy: -209.499
where: short stacking energy: -76.346
Base-Backbone interact. energy: -0.387
local terms energy: -95.257095
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -22.459
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -19.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -290.690724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.690724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.690724 (E_RNA)
where:
Base-Base interactions energy: -195.691
where: short stacking energy: -91.394
Base-Backbone interact. energy: -0.085
local terms energy: -94.914605
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -25.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -255.085226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.085226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.085226 (E_RNA)
where:
Base-Base interactions energy: -182.159
where: short stacking energy: -83.946
Base-Backbone interact. energy: 0.881
local terms energy: -73.807515
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -261.530204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.530204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.530204 (E_RNA)
where:
Base-Base interactions energy: -173.723
where: short stacking energy: -75.180
Base-Backbone interact. energy: -0.558
local terms energy: -87.249237
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -128.961217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.961217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.961217 (E_RNA)
where:
Base-Base interactions energy: -63.651
where: short stacking energy: -45.656
Base-Backbone interact. energy: 2.059
local terms energy: -67.369852
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -10.841
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: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -100.102908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.102908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.102908 (E_RNA)
where:
Base-Base interactions energy: -41.910
where: short stacking energy: -29.800
Base-Backbone interact. energy: -0.103
local terms energy: -58.089826
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -14.808
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: 1, replica: 1
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -362.411130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.411130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.411130 (E_RNA)
where:
Base-Base interactions energy: -253.221
where: short stacking energy: -96.865
Base-Backbone interact. energy: -0.192
local terms energy: -108.998564
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -22.939
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: -28.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -354.587904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.587904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.587904 (E_RNA)
where:
Base-Base interactions energy: -253.150
where: short stacking energy: -97.896
Base-Backbone interact. energy: -0.279
local terms energy: -101.158726
where:
bonds (distance) C4'-P energy: -20.476
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -26.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -345.853212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.853212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.853212 (E_RNA)
where:
Base-Base interactions energy: -249.466
where: short stacking energy: -90.423
Base-Backbone interact. energy: -0.729
local terms energy: -95.657697
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -22.203
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -287.647355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.647355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.647355 (E_RNA)
where:
Base-Base interactions energy: -200.871
where: short stacking energy: -91.155
Base-Backbone interact. energy: -0.014
local terms energy: -86.762084
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -306.486328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.486328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.486328 (E_RNA)
where:
Base-Base interactions energy: -212.042
where: short stacking energy: -75.594
Base-Backbone interact. energy: -0.003
local terms energy: -94.440985
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -291.185822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.185822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.185822 (E_RNA)
where:
Base-Base interactions energy: -199.226
where: short stacking energy: -86.952
Base-Backbone interact. energy: -0.039
local terms energy: -91.921162
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -22.499
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -22.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -237.722992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.722992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.722992 (E_RNA)
where:
Base-Base interactions energy: -153.376
where: short stacking energy: -72.911
Base-Backbone interact. energy: -0.304
local terms energy: -84.042976
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -20.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -118.315952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.315952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.315952 (E_RNA)
where:
Base-Base interactions energy: -61.832
where: short stacking energy: -32.524
Base-Backbone interact. energy: -0.293
local terms energy: -56.190645
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: 2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -172.857236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.857236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.857236 (E_RNA)
where:
Base-Base interactions energy: -101.110
where: short stacking energy: -61.345
Base-Backbone interact. energy: 0.470
local terms energy: -72.216745
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -103.315643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.315643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.315643 (E_RNA)
where:
Base-Base interactions energy: -52.136
where: short stacking energy: -22.061
Base-Backbone interact. energy: -0.959
local terms energy: -50.220819
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: 10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -359.109304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.109304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.109304 (E_RNA)
where:
Base-Base interactions energy: -257.830
where: short stacking energy: -97.037
Base-Backbone interact. energy: -0.146
local terms energy: -101.133417
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -26.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -359.071459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.071459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.071459 (E_RNA)
where:
Base-Base interactions energy: -251.699
where: short stacking energy: -101.568
Base-Backbone interact. energy: -0.124
local terms energy: -107.248729
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -20.190
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -28.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -351.906775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.906775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.906775 (E_RNA)
where:
Base-Base interactions energy: -262.103
where: short stacking energy: -93.613
Base-Backbone interact. energy: 0.250
local terms energy: -90.053924
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -12.506
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: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -293.231635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.231635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.231635 (E_RNA)
where:
Base-Base interactions energy: -198.964
where: short stacking energy: -94.325
Base-Backbone interact. energy: -0.066
local terms energy: -94.201088
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -22.118
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -23.115
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: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -302.888183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.888183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.888183 (E_RNA)
where:
Base-Base interactions energy: -210.443
where: short stacking energy: -94.389
Base-Backbone interact. energy: 0.482
local terms energy: -92.927540
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -25.461
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: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -305.438361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.438361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.438361 (E_RNA)
where:
Base-Base interactions energy: -208.062
where: short stacking energy: -80.884
Base-Backbone interact. energy: -0.507
local terms energy: -96.870076
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -23.380
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: 134
Temperature: 1.200000
Total energy: -218.641658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.641658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.641658 (E_RNA)
where:
Base-Base interactions energy: -136.274
where: short stacking energy: -61.984
Base-Backbone interact. energy: -1.470
local terms energy: -80.898478
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -117.699766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.699766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.699766 (E_RNA)
where:
Base-Base interactions energy: -54.061
where: short stacking energy: -33.117
Base-Backbone interact. energy: -0.226
local terms energy: -63.413311
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -180.629544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.629544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.629544 (E_RNA)
where:
Base-Base interactions energy: -105.552
where: short stacking energy: -57.762
Base-Backbone interact. energy: -0.195
local terms energy: -74.883016
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -119.297125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.297125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.297125 (E_RNA)
where:
Base-Base interactions energy: -63.172
where: short stacking energy: -30.534
Base-Backbone interact. energy: -0.540
local terms energy: -55.584832
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -354.557567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.557567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.557567 (E_RNA)
where:
Base-Base interactions energy: -247.683
where: short stacking energy: -96.531
Base-Backbone interact. energy: -0.140
local terms energy: -106.734675
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -23.866
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -24.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -352.009054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.009054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.009054 (E_RNA)
where:
Base-Base interactions energy: -258.058
where: short stacking energy: -96.207
Base-Backbone interact. energy: 0.968
local terms energy: -94.918891
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -22.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -351.138333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.138333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.138333 (E_RNA)
where:
Base-Base interactions energy: -255.346
where: short stacking energy: -96.695
Base-Backbone interact. energy: -0.228
local terms energy: -95.564308
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -25.233
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -301.690498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.690498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.690498 (E_RNA)
where:
Base-Base interactions energy: -208.156
where: short stacking energy: -96.541
Base-Backbone interact. energy: -0.433
local terms energy: -93.100863
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -26.404
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: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -280.470642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.470642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.470642 (E_RNA)
where:
Base-Base interactions energy: -193.564
where: short stacking energy: -92.120
Base-Backbone interact. energy: -0.027
local terms energy: -86.880035
where:
bonds (distance) C4'-P energy: -19.193
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -299.741629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.741629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.741629 (E_RNA)
where:
Base-Base interactions energy: -207.689
where: short stacking energy: -91.338
Base-Backbone interact. energy: 1.601
local terms energy: -93.653973
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -20.384
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -23.066
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: 135
Temperature: 1.200000
Total energy: -236.711019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.711019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.711019 (E_RNA)
where:
Base-Base interactions energy: -146.644
where: short stacking energy: -78.979
Base-Backbone interact. energy: -0.319
local terms energy: -89.748218
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -13.827
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: 8, replica: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -169.253511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.253511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.253511 (E_RNA)
where:
Base-Base interactions energy: -100.990
where: short stacking energy: -49.824
Base-Backbone interact. energy: -0.399
local terms energy: -67.863670
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -14.338
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: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -137.157893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.157893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.157893 (E_RNA)
where:
Base-Base interactions energy: -72.746
where: short stacking energy: -46.088
Base-Backbone interact. energy: -0.078
local terms energy: -64.333204
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -100.645011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.645011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.645011 (E_RNA)
where:
Base-Base interactions energy: -38.098
where: short stacking energy: -33.237
Base-Backbone interact. energy: -0.167
local terms energy: -62.380428
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -360.938886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.938886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.938886 (E_RNA)
where:
Base-Base interactions energy: -255.160
where: short stacking energy: -99.760
Base-Backbone interact. energy: -0.109
local terms energy: -105.670545
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -22.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -354.598488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.598488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.598488 (E_RNA)
where:
Base-Base interactions energy: -251.879
where: short stacking energy: -95.081
Base-Backbone interact. energy: -0.134
local terms energy: -102.585222
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -26.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -314.710793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.710793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.710793 (E_RNA)
where:
Base-Base interactions energy: -227.611
where: short stacking energy: -91.361
Base-Backbone interact. energy: -0.207
local terms energy: -86.893262
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -23.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -342.179719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.179719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.179719 (E_RNA)
where:
Base-Base interactions energy: -249.672
where: short stacking energy: -92.894
Base-Backbone interact. energy: -0.125
local terms energy: -92.383159
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -22.722
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: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -312.728743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.728743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.728743 (E_RNA)
where:
Base-Base interactions energy: -220.335
where: short stacking energy: -93.378
Base-Backbone interact. energy: -0.068
local terms energy: -92.325473
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -24.354
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: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -264.279189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.279189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.279189 (E_RNA)
where:
Base-Base interactions energy: -186.711
where: short stacking energy: -76.911
Base-Backbone interact. energy: -0.250
local terms energy: -77.317419
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -11.475
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: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -191.909068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.909068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.909068 (E_RNA)
where:
Base-Base interactions energy: -112.870
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.131
local terms energy: -78.908426
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -228.505665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.505665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.505665 (E_RNA)
where:
Base-Base interactions energy: -152.699
where: short stacking energy: -76.029
Base-Backbone interact. energy: -0.119
local terms energy: -75.687118
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -125.886924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.886924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.886924 (E_RNA)
where:
Base-Base interactions energy: -57.586
where: short stacking energy: -49.643
Base-Backbone interact. energy: -1.114
local terms energy: -67.187393
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -88.967931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.967931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.967931 (E_RNA)
where:
Base-Base interactions energy: -31.638
where: short stacking energy: -31.638
Base-Backbone interact. energy: -0.189
local terms energy: -57.141379
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -1.068
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -360.264415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.264415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.264415 (E_RNA)
where:
Base-Base interactions energy: -257.871
where: short stacking energy: -97.952
Base-Backbone interact. energy: -0.085
local terms energy: -102.307900
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -19.564
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: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -350.156289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.156289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.156289 (E_RNA)
where:
Base-Base interactions energy: -256.898
where: short stacking energy: -93.947
Base-Backbone interact. energy: -0.499
local terms energy: -92.759267
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -21.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -310.073540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.073540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.073540 (E_RNA)
where:
Base-Base interactions energy: -206.810
where: short stacking energy: -96.380
Base-Backbone interact. energy: -0.098
local terms energy: -103.165884
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -21.878
flat angles C4'-P-C4' energy: -22.946
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -28.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -343.494670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.494670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.494670 (E_RNA)
where:
Base-Base interactions energy: -244.973
where: short stacking energy: -95.288
Base-Backbone interact. energy: -0.388
local terms energy: -98.133865
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -27.216
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: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -316.569190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.569190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.569190 (E_RNA)
where:
Base-Base interactions energy: -224.698
where: short stacking energy: -88.486
Base-Backbone interact. energy: -0.227
local terms energy: -91.643969
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -22.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -264.589138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.589138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.589138 (E_RNA)
where:
Base-Base interactions energy: -174.167
where: short stacking energy: -77.251
Base-Backbone interact. energy: -0.223
local terms energy: -90.199020
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -23.478
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: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -187.834936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.834936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.834936 (E_RNA)
where:
Base-Base interactions energy: -115.717
where: short stacking energy: -51.742
Base-Backbone interact. energy: 1.386
local terms energy: -73.503378
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -235.446536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.446536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.446536 (E_RNA)
where:
Base-Base interactions energy: -153.526
where: short stacking energy: -77.259
Base-Backbone interact. energy: 0.112
local terms energy: -82.032075
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -127.592583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.592583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.592583 (E_RNA)
where:
Base-Base interactions energy: -57.437
where: short stacking energy: -38.908
Base-Backbone interact. energy: -0.162
local terms energy: -69.993566
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -9.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -105.595611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.595611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.595611 (E_RNA)
where:
Base-Base interactions energy: -38.886
where: short stacking energy: -35.784
Base-Backbone interact. energy: 0.401
local terms energy: -67.110283
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -349.748865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.748865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.748865 (E_RNA)
where:
Base-Base interactions energy: -256.697
where: short stacking energy: -94.012
Base-Backbone interact. energy: -0.157
local terms energy: -92.894241
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -20.972
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -356.741712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.741712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.741712 (E_RNA)
where:
Base-Base interactions energy: -261.041
where: short stacking energy: -101.415
Base-Backbone interact. energy: 0.476
local terms energy: -96.177110
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -26.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -342.375724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.375724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.375724 (E_RNA)
where:
Base-Base interactions energy: -244.839
where: short stacking energy: -89.575
Base-Backbone interact. energy: -0.201
local terms energy: -97.335820
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -25.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -319.565616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.565616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.565616 (E_RNA)
where:
Base-Base interactions energy: -221.758
where: short stacking energy: -105.025
Base-Backbone interact. energy: -0.098
local terms energy: -97.709073
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -23.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -263.278192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.278192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.278192 (E_RNA)
where:
Base-Base interactions energy: -181.270
where: short stacking energy: -75.631
Base-Backbone interact. energy: -0.097
local terms energy: -81.911201
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -14.230
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: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -302.932960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.932960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.932960 (E_RNA)
where:
Base-Base interactions energy: -212.698
where: short stacking energy: -84.551
Base-Backbone interact. energy: 1.518
local terms energy: -91.753487
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -18.117
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: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -226.203923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.203923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.203923 (E_RNA)
where:
Base-Base interactions energy: -141.815
where: short stacking energy: -67.995
Base-Backbone interact. energy: -0.392
local terms energy: -83.997092
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -185.038128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.038128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.038128 (E_RNA)
where:
Base-Base interactions energy: -105.647
where: short stacking energy: -54.438
Base-Backbone interact. energy: 1.847
local terms energy: -81.237757
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -106.776227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.776227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.776227 (E_RNA)
where:
Base-Base interactions energy: -41.892
where: short stacking energy: -31.054
Base-Backbone interact. energy: -0.395
local terms energy: -64.488753
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -107.832341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.832341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.832341 (E_RNA)
where:
Base-Base interactions energy: -47.281
where: short stacking energy: -44.935
Base-Backbone interact. energy: -0.063
local terms energy: -60.488866
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -358.173557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.173557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.173557 (E_RNA)
where:
Base-Base interactions energy: -255.762
where: short stacking energy: -96.772
Base-Backbone interact. energy: -0.285
local terms energy: -102.126454
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -24.078
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: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -358.301264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.301264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.301264 (E_RNA)
where:
Base-Base interactions energy: -255.561
where: short stacking energy: -98.064
Base-Backbone interact. energy: -0.604
local terms energy: -102.136200
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -23.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -350.614774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.614774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.614774 (E_RNA)
where:
Base-Base interactions energy: -255.065
where: short stacking energy: -91.483
Base-Backbone interact. energy: -0.385
local terms energy: -95.164766
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -25.878
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: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -301.359163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.359163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.359163 (E_RNA)
where:
Base-Base interactions energy: -198.953
where: short stacking energy: -90.124
Base-Backbone interact. energy: -0.001
local terms energy: -102.405252
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -23.897
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -24.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -268.756302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.756302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.756302 (E_RNA)
where:
Base-Base interactions energy: -196.825
where: short stacking energy: -87.049
Base-Backbone interact. energy: -1.378
local terms energy: -70.553363
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -22.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -332.065301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.065301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.065301 (E_RNA)
where:
Base-Base interactions energy: -227.465
where: short stacking energy: -94.212
Base-Backbone interact. energy: -1.044
local terms energy: -103.556997
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -22.188
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: 7, replica: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -236.053877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.053877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.053877 (E_RNA)
where:
Base-Base interactions energy: -147.119
where: short stacking energy: -66.865
Base-Backbone interact. energy: -0.087
local terms energy: -88.847879
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -16.113
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: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -188.492132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.492132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.492132 (E_RNA)
where:
Base-Base interactions energy: -114.056
where: short stacking energy: -51.356
Base-Backbone interact. energy: -0.205
local terms energy: -74.230883
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -108.685925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.685925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.685925 (E_RNA)
where:
Base-Base interactions energy: -40.746
where: short stacking energy: -34.095
Base-Backbone interact. energy: -0.602
local terms energy: -67.338318
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -143.942496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.942496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.942496 (E_RNA)
where:
Base-Base interactions energy: -83.786
where: short stacking energy: -54.842
Base-Backbone interact. energy: 0.091
local terms energy: -60.248119
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -359.340940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.340940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.340940 (E_RNA)
where:
Base-Base interactions energy: -257.515
where: short stacking energy: -90.850
Base-Backbone interact. energy: -0.135
local terms energy: -101.690430
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -15.686
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: 2, replica: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -352.314419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.314419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.314419 (E_RNA)
where:
Base-Base interactions energy: -249.031
where: short stacking energy: -97.213
Base-Backbone interact. energy: -0.258
local terms energy: -103.025482
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -23.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -353.063300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.063300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.063300 (E_RNA)
where:
Base-Base interactions energy: -254.971
where: short stacking energy: -97.170
Base-Backbone interact. energy: -0.641
local terms energy: -97.451145
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -25.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -297.570705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.570705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.570705 (E_RNA)
where:
Base-Base interactions energy: -202.513
where: short stacking energy: -92.705
Base-Backbone interact. energy: -0.008
local terms energy: -95.050425
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -24.753
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: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -309.599833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.599833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.599833 (E_RNA)
where:
Base-Base interactions energy: -221.566
where: short stacking energy: -96.417
Base-Backbone interact. energy: 1.282
local terms energy: -89.315333
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -23.014
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: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -278.114752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.114752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.114752 (E_RNA)
where:
Base-Base interactions energy: -185.217
where: short stacking energy: -80.955
Base-Backbone interact. energy: -0.297
local terms energy: -92.600515
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -19.415
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: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -236.100352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.100352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.100352 (E_RNA)
where:
Base-Base interactions energy: -146.604
where: short stacking energy: -72.167
Base-Backbone interact. energy: -0.166
local terms energy: -89.330355
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -21.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -167.004529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.004529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.004529 (E_RNA)
where:
Base-Base interactions energy: -98.242
where: short stacking energy: -57.198
Base-Backbone interact. energy: -0.020
local terms energy: -68.743233
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -143.944276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.944276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.944276 (E_RNA)
where:
Base-Base interactions energy: -77.612
where: short stacking energy: -38.384
Base-Backbone interact. energy: -0.295
local terms energy: -66.037115
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -14.763
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: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -108.604548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.604548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.604548 (E_RNA)
where:
Base-Base interactions energy: -45.933
where: short stacking energy: -45.933
Base-Backbone interact. energy: -0.083
local terms energy: -62.587797
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -9.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -360.034292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.034292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.034292 (E_RNA)
where:
Base-Base interactions energy: -252.381
where: short stacking energy: -92.921
Base-Backbone interact. energy: -0.989
local terms energy: -106.664723
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -24.235
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -23.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -348.869538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.869538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.869538 (E_RNA)
where:
Base-Base interactions energy: -249.354
where: short stacking energy: -97.692
Base-Backbone interact. energy: -0.076
local terms energy: -99.439768
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -28.776
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: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -347.899843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.899843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.899843 (E_RNA)
where:
Base-Base interactions energy: -247.540
where: short stacking energy: -92.753
Base-Backbone interact. energy: -0.381
local terms energy: -99.978292
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -17.492
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -330.541071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.541071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.541071 (E_RNA)
where:
Base-Base interactions energy: -235.492
where: short stacking energy: -97.060
Base-Backbone interact. energy: -0.019
local terms energy: -95.030114
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -24.257
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -295.623861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.623861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.623861 (E_RNA)
where:
Base-Base interactions energy: -209.002
where: short stacking energy: -92.913
Base-Backbone interact. energy: -0.328
local terms energy: -86.293252
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -261.644501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.644501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.644501 (E_RNA)
where:
Base-Base interactions energy: -172.599
where: short stacking energy: -73.634
Base-Backbone interact. energy: 0.682
local terms energy: -89.727710
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -220.740034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.740034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.740034 (E_RNA)
where:
Base-Base interactions energy: -139.533
where: short stacking energy: -63.490
Base-Backbone interact. energy: -0.969
local terms energy: -80.238008
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -169.200619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.200619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.200619 (E_RNA)
where:
Base-Base interactions energy: -96.700
where: short stacking energy: -54.515
Base-Backbone interact. energy: 0.089
local terms energy: -72.590034
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -120.822310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.822310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.822310 (E_RNA)
where:
Base-Base interactions energy: -44.427
where: short stacking energy: -44.427
Base-Backbone interact. energy: -0.301
local terms energy: -76.093841
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -112.302683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.302683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.302683 (E_RNA)
where:
Base-Base interactions energy: -51.014
where: short stacking energy: -20.696
Base-Backbone interact. energy: -0.259
local terms energy: -61.029652
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -4.739
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: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -355.898413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.898413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.898413 (E_RNA)
where:
Base-Base interactions energy: -262.782
where: short stacking energy: -99.112
Base-Backbone interact. energy: -0.179
local terms energy: -92.937253
where:
bonds (distance) C4'-P energy: -21.838
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -23.177
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: 142
Temperature: 0.950000
Total energy: -344.665069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.665069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.665069 (E_RNA)
where:
Base-Base interactions energy: -247.125
where: short stacking energy: -92.726
Base-Backbone interact. energy: -0.137
local terms energy: -97.402959
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -15.796
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: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -338.235108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.235108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.235108 (E_RNA)
where:
Base-Base interactions energy: -233.441
where: short stacking energy: -94.050
Base-Backbone interact. energy: -0.100
local terms energy: -104.693999
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -25.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -327.489922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.489922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.489922 (E_RNA)
where:
Base-Base interactions energy: -232.922
where: short stacking energy: -101.214
Base-Backbone interact. energy: -0.060
local terms energy: -94.507717
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -24.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -268.371511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.371511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.371511 (E_RNA)
where:
Base-Base interactions energy: -188.375
where: short stacking energy: -87.516
Base-Backbone interact. energy: -0.155
local terms energy: -79.841374
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -19.387
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: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -292.458323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.458323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.458323 (E_RNA)
where:
Base-Base interactions energy: -206.703
where: short stacking energy: -73.926
Base-Backbone interact. energy: -0.701
local terms energy: -85.054726
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -181.878054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.878054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.878054 (E_RNA)
where:
Base-Base interactions energy: -102.374
where: short stacking energy: -61.843
Base-Backbone interact. energy: -0.091
local terms energy: -79.413532
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -231.039147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.039147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.039147 (E_RNA)
where:
Base-Base interactions energy: -155.499
where: short stacking energy: -67.827
Base-Backbone interact. energy: -0.063
local terms energy: -75.477316
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -23.125
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -17.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -141.413055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.413055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.413055 (E_RNA)
where:
Base-Base interactions energy: -72.890
where: short stacking energy: -40.972
Base-Backbone interact. energy: -0.382
local terms energy: -68.141436
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -9.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -97.317389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.317389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.317389 (E_RNA)
where:
Base-Base interactions energy: -36.480
where: short stacking energy: -31.328
Base-Backbone interact. energy: -0.184
local terms energy: -60.652737
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -354.487865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.487865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.487865 (E_RNA)
where:
Base-Base interactions energy: -251.451
where: short stacking energy: -87.780
Base-Backbone interact. energy: -0.198
local terms energy: -102.838608
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -21.213
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -23.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -341.856343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.856343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.856343 (E_RNA)
where:
Base-Base interactions energy: -237.791
where: short stacking energy: -98.204
Base-Backbone interact. energy: -0.106
local terms energy: -103.960022
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -27.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -338.714231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.714231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.714231 (E_RNA)
where:
Base-Base interactions energy: -247.999
where: short stacking energy: -95.958
Base-Backbone interact. energy: -0.027
local terms energy: -90.688299
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -315.779827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.779827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.779827 (E_RNA)
where:
Base-Base interactions energy: -226.801
where: short stacking energy: -93.717
Base-Backbone interact. energy: -0.018
local terms energy: -88.961244
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -17.384
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -22.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -256.737326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.737326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.737326 (E_RNA)
where:
Base-Base interactions energy: -179.100
where: short stacking energy: -79.346
Base-Backbone interact. energy: -0.406
local terms energy: -77.231107
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -294.514323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.514323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.514323 (E_RNA)
where:
Base-Base interactions energy: -212.709
where: short stacking energy: -83.462
Base-Backbone interact. energy: -0.160
local terms energy: -81.644617
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -17.402
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: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -171.796952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.796952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.796952 (E_RNA)
where:
Base-Base interactions energy: -101.484
where: short stacking energy: -57.714
Base-Backbone interact. energy: -0.165
local terms energy: -70.148289
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -18.512
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: 8, replica: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -222.797934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.797934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.797934 (E_RNA)
where:
Base-Base interactions energy: -138.494
where: short stacking energy: -67.328
Base-Backbone interact. energy: -0.329
local terms energy: -83.974830
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -113.111187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.111187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.111187 (E_RNA)
where:
Base-Base interactions energy: -46.351
where: short stacking energy: -46.321
Base-Backbone interact. energy: -0.692
local terms energy: -66.068895
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -114.109064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.109064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.109064 (E_RNA)
where:
Base-Base interactions energy: -52.115
where: short stacking energy: -34.360
Base-Backbone interact. energy: 0.200
local terms energy: -62.194060
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: 0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -353.653163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.653163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.653163 (E_RNA)
where:
Base-Base interactions energy: -249.712
where: short stacking energy: -93.738
Base-Backbone interact. energy: -0.194
local terms energy: -103.747175
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -23.832
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -25.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -349.466865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.466865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.466865 (E_RNA)
where:
Base-Base interactions energy: -245.492
where: short stacking energy: -101.079
Base-Backbone interact. energy: -0.225
local terms energy: -103.749917
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -25.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -320.896844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.896844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.896844 (E_RNA)
where:
Base-Base interactions energy: -227.485
where: short stacking energy: -96.550
Base-Backbone interact. energy: -0.373
local terms energy: -93.038258
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -26.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -336.146753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.146753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.146753 (E_RNA)
where:
Base-Base interactions energy: -241.180
where: short stacking energy: -90.116
Base-Backbone interact. energy: -0.080
local terms energy: -94.886905
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -24.665
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -314.916034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.916034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.916034 (E_RNA)
where:
Base-Base interactions energy: -215.773
where: short stacking energy: -93.978
Base-Backbone interact. energy: -0.296
local terms energy: -98.846828
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -25.151
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: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -255.182254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.182254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.182254 (E_RNA)
where:
Base-Base interactions energy: -178.047
where: short stacking energy: -80.198
Base-Backbone interact. energy: -0.436
local terms energy: -76.699265
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -220.573193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.573193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.573193 (E_RNA)
where:
Base-Base interactions energy: -135.379
where: short stacking energy: -65.647
Base-Backbone interact. energy: -0.175
local terms energy: -85.018854
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -15.591
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: 3
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -182.534064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.534064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.534064 (E_RNA)
where:
Base-Base interactions energy: -102.446
where: short stacking energy: -58.672
Base-Backbone interact. energy: -0.176
local terms energy: -79.911538
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -123.292463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.292463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.292463 (E_RNA)
where:
Base-Base interactions energy: -46.672
where: short stacking energy: -30.174
Base-Backbone interact. energy: -0.210
local terms energy: -76.410967
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -126.232236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.232236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.232236 (E_RNA)
where:
Base-Base interactions energy: -63.606
where: short stacking energy: -35.379
Base-Backbone interact. energy: -0.237
local terms energy: -62.389298
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -351.506575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.506575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.506575 (E_RNA)
where:
Base-Base interactions energy: -247.116
where: short stacking energy: -90.037
Base-Backbone interact. energy: -0.148
local terms energy: -104.242759
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -18.653
tors. eta vs tors. theta energy: -21.591
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: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -347.578712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.578712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.578712 (E_RNA)
where:
Base-Base interactions energy: -236.139
where: short stacking energy: -96.833
Base-Backbone interact. energy: -1.935
local terms energy: -109.504412
where:
bonds (distance) C4'-P energy: -23.226
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: -29.903
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: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -331.724126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.724126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.724126 (E_RNA)
where:
Base-Base interactions energy: -234.632
where: short stacking energy: -95.495
Base-Backbone interact. energy: 6.632
local terms energy: -103.723859
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -26.826
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: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -317.562177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.562177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.562177 (E_RNA)
where:
Base-Base interactions energy: -220.170
where: short stacking energy: -96.008
Base-Backbone interact. energy: -0.014
local terms energy: -97.377769
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -19.984
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -18.119
tors. eta vs tors. theta energy: -25.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -333.156154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.156154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.156154 (E_RNA)
where:
Base-Base interactions energy: -242.046
where: short stacking energy: -88.451
Base-Backbone interact. energy: -0.159
local terms energy: -90.951185
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -263.801349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.801349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.801349 (E_RNA)
where:
Base-Base interactions energy: -177.707
where: short stacking energy: -79.591
Base-Backbone interact. energy: -0.086
local terms energy: -86.007723
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -228.297068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.297068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.297068 (E_RNA)
where:
Base-Base interactions energy: -143.727
where: short stacking energy: -80.677
Base-Backbone interact. energy: 0.018
local terms energy: -84.587844
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -182.175455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.175455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.175455 (E_RNA)
where:
Base-Base interactions energy: -107.956
where: short stacking energy: -66.508
Base-Backbone interact. energy: -0.538
local terms energy: -73.681698
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -12.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -115.352657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.352657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.352657 (E_RNA)
where:
Base-Base interactions energy: -54.923
where: short stacking energy: -34.679
Base-Backbone interact. energy: -0.427
local terms energy: -60.002168
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -108.698412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.698412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.698412 (E_RNA)
where:
Base-Base interactions energy: -47.796
where: short stacking energy: -18.424
Base-Backbone interact. energy: -0.495
local terms energy: -60.407529
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: 4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -354.814070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.814070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.814070 (E_RNA)
where:
Base-Base interactions energy: -251.027
where: short stacking energy: -96.986
Base-Backbone interact. energy: -0.087
local terms energy: -103.700072
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -25.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -336.619791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.619791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.619791 (E_RNA)
where:
Base-Base interactions energy: -234.061
where: short stacking energy: -96.163
Base-Backbone interact. energy: -0.219
local terms energy: -102.339771
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -22.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -328.880591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.880591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.880591 (E_RNA)
where:
Base-Base interactions energy: -223.392
where: short stacking energy: -97.229
Base-Backbone interact. energy: -0.119
local terms energy: -105.369960
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -27.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -303.685887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.685887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.685887 (E_RNA)
where:
Base-Base interactions energy: -212.832
where: short stacking energy: -88.505
Base-Backbone interact. energy: -0.043
local terms energy: -90.810642
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -22.539
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: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -339.707863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.707863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.707863 (E_RNA)
where:
Base-Base interactions energy: -238.153
where: short stacking energy: -93.909
Base-Backbone interact. energy: -0.297
local terms energy: -101.258505
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -23.903
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -22.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -284.097726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.097726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.097726 (E_RNA)
where:
Base-Base interactions energy: -209.222
where: short stacking energy: -79.367
Base-Backbone interact. energy: 1.637
local terms energy: -76.512377
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -191.985553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.985553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.985553 (E_RNA)
where:
Base-Base interactions energy: -108.846
where: short stacking energy: -61.031
Base-Backbone interact. energy: -0.069
local terms energy: -83.069933
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -221.586394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.586394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.586394 (E_RNA)
where:
Base-Base interactions energy: -140.727
where: short stacking energy: -73.040
Base-Backbone interact. energy: -0.028
local terms energy: -80.832105
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -17.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -145.590742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.590742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.590742 (E_RNA)
where:
Base-Base interactions energy: -83.719
where: short stacking energy: -34.422
Base-Backbone interact. energy: 0.062
local terms energy: -61.933198
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -108.762763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.762763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.762763 (E_RNA)
where:
Base-Base interactions energy: -57.331
where: short stacking energy: -44.533
Base-Backbone interact. energy: -0.572
local terms energy: -50.860442
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -352.945064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.945064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.945064 (E_RNA)
where:
Base-Base interactions energy: -249.101
where: short stacking energy: -101.847
Base-Backbone interact. energy: -0.349
local terms energy: -103.494920
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: -26.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -343.408851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.408851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.408851 (E_RNA)
where:
Base-Base interactions energy: -237.131
where: short stacking energy: -91.039
Base-Backbone interact. energy: -0.701
local terms energy: -105.576462
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -23.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -343.385838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.385838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.385838 (E_RNA)
where:
Base-Base interactions energy: -237.149
where: short stacking energy: -101.785
Base-Backbone interact. energy: -1.523
local terms energy: -104.713623
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -18.074
tors. eta vs tors. theta energy: -28.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -348.438729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.438729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.438729 (E_RNA)
where:
Base-Base interactions energy: -244.647
where: short stacking energy: -93.191
Base-Backbone interact. energy: -0.518
local terms energy: -103.273961
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -26.976
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: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -314.758831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.758831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.758831 (E_RNA)
where:
Base-Base interactions energy: -223.865
where: short stacking energy: -96.618
Base-Backbone interact. energy: -0.024
local terms energy: -90.870210
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -22.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -277.522841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.522841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.522841 (E_RNA)
where:
Base-Base interactions energy: -186.396
where: short stacking energy: -90.122
Base-Backbone interact. energy: -0.411
local terms energy: -90.715392
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -10.852
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: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -188.393060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.393060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.393060 (E_RNA)
where:
Base-Base interactions energy: -110.338
where: short stacking energy: -64.846
Base-Backbone interact. energy: -0.032
local terms energy: -78.023267
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -214.988930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.988930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.988930 (E_RNA)
where:
Base-Base interactions energy: -137.520
where: short stacking energy: -65.883
Base-Backbone interact. energy: -0.736
local terms energy: -76.732728
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -149.217513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.217513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.217513 (E_RNA)
where:
Base-Base interactions energy: -86.104
where: short stacking energy: -37.405
Base-Backbone interact. energy: -0.269
local terms energy: -62.844336
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -123.024764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.024764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.024764 (E_RNA)
where:
Base-Base interactions energy: -71.923
where: short stacking energy: -37.841
Base-Backbone interact. energy: 0.065
local terms energy: -51.166551
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -10.131
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: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -345.486331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.486331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.486331 (E_RNA)
where:
Base-Base interactions energy: -244.460
where: short stacking energy: -101.994
Base-Backbone interact. energy: -0.311
local terms energy: -100.714853
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -26.327
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: 148
Temperature: 0.950000
Total energy: -349.319274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.319274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.319274 (E_RNA)
where:
Base-Base interactions energy: -250.865
where: short stacking energy: -96.138
Base-Backbone interact. energy: -0.094
local terms energy: -98.360168
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -25.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -348.415007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.415007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.415007 (E_RNA)
where:
Base-Base interactions energy: -243.459
where: short stacking energy: -96.390
Base-Backbone interact. energy: -1.207
local terms energy: -103.748797
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -25.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -344.803335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.803335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.803335 (E_RNA)
where:
Base-Base interactions energy: -242.601
where: short stacking energy: -96.092
Base-Backbone interact. energy: -0.058
local terms energy: -102.143916
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -22.630
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -28.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -288.677617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.677617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.677617 (E_RNA)
where:
Base-Base interactions energy: -196.190
where: short stacking energy: -99.091
Base-Backbone interact. energy: -0.529
local terms energy: -91.958600
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -29.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -301.472269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.472269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.472269 (E_RNA)
where:
Base-Base interactions energy: -206.605
where: short stacking energy: -99.313
Base-Backbone interact. energy: -0.175
local terms energy: -94.691882
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -29.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -224.089011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.089011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.089011 (E_RNA)
where:
Base-Base interactions energy: -141.796
where: short stacking energy: -80.232
Base-Backbone interact. energy: -0.098
local terms energy: -82.195088
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -22.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -176.457985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.457985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.457985 (E_RNA)
where:
Base-Base interactions energy: -111.817
where: short stacking energy: -58.170
Base-Backbone interact. energy: -0.682
local terms energy: -63.959024
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -7.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -115.583932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.583932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.583932 (E_RNA)
where:
Base-Base interactions energy: -46.377
where: short stacking energy: -46.377
Base-Backbone interact. energy: -0.346
local terms energy: -68.860845
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -107.146347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.146347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.146347 (E_RNA)
where:
Base-Base interactions energy: -54.293
where: short stacking energy: -39.223
Base-Backbone interact. energy: 0.669
local terms energy: -53.522409
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -350.844784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.844784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.844784 (E_RNA)
where:
Base-Base interactions energy: -244.995
where: short stacking energy: -94.231
Base-Backbone interact. energy: 0.050
local terms energy: -105.899956
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -26.649
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: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -349.370358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.370358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.370358 (E_RNA)
where:
Base-Base interactions energy: -239.041
where: short stacking energy: -103.311
Base-Backbone interact. energy: -0.002
local terms energy: -110.328004
where:
bonds (distance) C4'-P energy: -21.255
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -29.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -343.068918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.068918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.068918 (E_RNA)
where:
Base-Base interactions energy: -240.522
where: short stacking energy: -93.386
Base-Backbone interact. energy: -0.352
local terms energy: -102.195147
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -23.574
flat angles P-C4'-P energy: -16.918
tors. eta vs tors. theta energy: -25.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -346.723008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.723008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.723008 (E_RNA)
where:
Base-Base interactions energy: -246.656
where: short stacking energy: -97.820
Base-Backbone interact. energy: 1.664
local terms energy: -101.731065
where:
bonds (distance) C4'-P energy: -22.531
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -22.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -288.702756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.702756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.702756 (E_RNA)
where:
Base-Base interactions energy: -192.687
where: short stacking energy: -89.538
Base-Backbone interact. energy: -0.214
local terms energy: -95.801587
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -23.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -304.904291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.904291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.904291 (E_RNA)
where:
Base-Base interactions energy: -217.628
where: short stacking energy: -90.694
Base-Backbone interact. energy: 0.406
local terms energy: -87.683018
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -25.941
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: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -222.042449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.042449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.042449 (E_RNA)
where:
Base-Base interactions energy: -140.565
where: short stacking energy: -76.171
Base-Backbone interact. energy: -0.788
local terms energy: -80.690022
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -124.219494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.219494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.219494 (E_RNA)
where:
Base-Base interactions energy: -56.287
where: short stacking energy: -41.310
Base-Backbone interact. energy: -0.543
local terms energy: -67.389371
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -161.303619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.303619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.303619 (E_RNA)
where:
Base-Base interactions energy: -101.566
where: short stacking energy: -47.535
Base-Backbone interact. energy: -0.771
local terms energy: -58.965962
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -8.230
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: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -111.720606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.720606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.720606 (E_RNA)
where:
Base-Base interactions energy: -54.820
where: short stacking energy: -45.315
Base-Backbone interact. energy: -0.057
local terms energy: -56.844222
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -342.181343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.181343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.181343 (E_RNA)
where:
Base-Base interactions energy: -240.899
where: short stacking energy: -94.884
Base-Backbone interact. energy: -0.049
local terms energy: -101.233312
where:
bonds (distance) C4'-P energy: -21.407
bonds (distance) P-C4' energy: -20.485
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -24.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -349.673049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.673049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.673049 (E_RNA)
where:
Base-Base interactions energy: -243.051
where: short stacking energy: -102.119
Base-Backbone interact. energy: -0.219
local terms energy: -106.402355
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -29.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -344.373448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.373448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.373448 (E_RNA)
where:
Base-Base interactions energy: -251.537
where: short stacking energy: -98.630
Base-Backbone interact. energy: 0.481
local terms energy: -93.318351
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -24.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -338.545465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.545465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.545465 (E_RNA)
where:
Base-Base interactions energy: -247.493
where: short stacking energy: -103.300
Base-Backbone interact. energy: -0.002
local terms energy: -91.050294
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -25.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -307.950705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.950705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.950705 (E_RNA)
where:
Base-Base interactions energy: -209.198
where: short stacking energy: -88.837
Base-Backbone interact. energy: 1.851
local terms energy: -100.603758
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -24.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -288.311815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.311815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.311815 (E_RNA)
where:
Base-Base interactions energy: -192.780
where: short stacking energy: -92.077
Base-Backbone interact. energy: -0.239
local terms energy: -95.292969
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -28.280
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: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -234.974772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.974772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.974772 (E_RNA)
where:
Base-Base interactions energy: -145.879
where: short stacking energy: -70.828
Base-Backbone interact. energy: -0.056
local terms energy: -89.040059
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -21.843
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: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -136.877546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.877546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.877546 (E_RNA)
where:
Base-Base interactions energy: -55.893
where: short stacking energy: -42.169
Base-Backbone interact. energy: -0.208
local terms energy: -80.777213
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -6.365
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: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -168.442417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.442417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.442417 (E_RNA)
where:
Base-Base interactions energy: -96.551
where: short stacking energy: -50.085
Base-Backbone interact. energy: 1.248
local terms energy: -73.139335
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -16.122
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: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -98.450187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.450187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.450187 (E_RNA)
where:
Base-Base interactions energy: -36.120
where: short stacking energy: -32.327
Base-Backbone interact. energy: 0.519
local terms energy: -62.848799
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -23.426
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: 0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -342.378574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.378574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.378574 (E_RNA)
where:
Base-Base interactions energy: -237.304
where: short stacking energy: -92.200
Base-Backbone interact. energy: -0.484
local terms energy: -104.590293
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -23.436
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -25.285
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: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -354.268118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.268118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.268118 (E_RNA)
where:
Base-Base interactions energy: -254.002
where: short stacking energy: -102.651
Base-Backbone interact. energy: -0.150
local terms energy: -100.116312
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -25.734
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -22.623
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: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -345.194816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.194816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.194816 (E_RNA)
where:
Base-Base interactions energy: -253.612
where: short stacking energy: -97.962
Base-Backbone interact. energy: -0.135
local terms energy: -91.448071
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -27.605
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: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -340.658334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.658334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.658334 (E_RNA)
where:
Base-Base interactions energy: -246.629
where: short stacking energy: -92.206
Base-Backbone interact. energy: -0.101
local terms energy: -93.928308
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -16.036
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: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -294.485748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.485748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.485748 (E_RNA)
where:
Base-Base interactions energy: -194.295
where: short stacking energy: -97.135
Base-Backbone interact. energy: -0.028
local terms energy: -100.162875
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -26.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -280.772983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.772983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.772983 (E_RNA)
where:
Base-Base interactions energy: -194.442
where: short stacking energy: -84.194
Base-Backbone interact. energy: -0.104
local terms energy: -86.227061
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -213.523234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.523234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.523234 (E_RNA)
where:
Base-Base interactions energy: -127.280
where: short stacking energy: -58.472
Base-Backbone interact. energy: -0.148
local terms energy: -86.094475
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -179.692697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.692697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.692697 (E_RNA)
where:
Base-Base interactions energy: -103.787
where: short stacking energy: -66.689
Base-Backbone interact. energy: -0.103
local terms energy: -75.802820
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -107.943713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.943713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.943713 (E_RNA)
where:
Base-Base interactions energy: -46.392
where: short stacking energy: -35.891
Base-Backbone interact. energy: 0.828
local terms energy: -62.379758
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -120.486493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.486493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.486493 (E_RNA)
where:
Base-Base interactions energy: -48.631
where: short stacking energy: -45.030
Base-Backbone interact. energy: -0.218
local terms energy: -71.638022
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -7.236
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: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -361.344838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.344838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.344838 (E_RNA)
where:
Base-Base interactions energy: -257.057
where: short stacking energy: -98.133
Base-Backbone interact. energy: -0.092
local terms energy: -104.195299
where:
bonds (distance) C4'-P energy: -22.758
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -22.730
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: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -335.878931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.878931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.878931 (E_RNA)
where:
Base-Base interactions energy: -233.748
where: short stacking energy: -93.292
Base-Backbone interact. energy: -0.406
local terms energy: -101.725423
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -27.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -338.789446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.789446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.789446 (E_RNA)
where:
Base-Base interactions energy: -247.364
where: short stacking energy: -88.246
Base-Backbone interact. energy: -0.226
local terms energy: -91.199235
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -18.120
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: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -352.725496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.725496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.725496 (E_RNA)
where:
Base-Base interactions energy: -251.021
where: short stacking energy: -102.984
Base-Backbone interact. energy: -0.006
local terms energy: -101.698223
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -19.580
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -27.287
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: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -285.083769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.083769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.083769 (E_RNA)
where:
Base-Base interactions energy: -184.966
where: short stacking energy: -86.441
Base-Backbone interact. energy: -0.094
local terms energy: -100.023899
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -26.098
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: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -294.598404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.598404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.598404 (E_RNA)
where:
Base-Base interactions energy: -210.875
where: short stacking energy: -81.965
Base-Backbone interact. energy: -0.216
local terms energy: -83.507045
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -10.158
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: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -223.432128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.432128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.432128 (E_RNA)
where:
Base-Base interactions energy: -138.038
where: short stacking energy: -66.290
Base-Backbone interact. energy: -0.072
local terms energy: -85.321780
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -11.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -174.820817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.820817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.820817 (E_RNA)
where:
Base-Base interactions energy: -109.337
where: short stacking energy: -62.398
Base-Backbone interact. energy: 2.211
local terms energy: -67.695304
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -12.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -104.647756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.647756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.647756 (E_RNA)
where:
Base-Base interactions energy: -44.055
where: short stacking energy: -38.790
Base-Backbone interact. energy: -0.131
local terms energy: -60.461986
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -100.230188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.230188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.230188 (E_RNA)
where:
Base-Base interactions energy: -39.437
where: short stacking energy: -24.914
Base-Backbone interact. energy: 2.171
local terms energy: -62.964536
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: 2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -353.133223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.133223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.133223 (E_RNA)
where:
Base-Base interactions energy: -247.539
where: short stacking energy: -95.500
Base-Backbone interact. energy: -0.125
local terms energy: -105.469203
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -25.825
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: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -346.960993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.960993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.960993 (E_RNA)
where:
Base-Base interactions energy: -248.309
where: short stacking energy: -105.966
Base-Backbone interact. energy: -0.394
local terms energy: -98.258365
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -25.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -339.043189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.043189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.043189 (E_RNA)
where:
Base-Base interactions energy: -249.368
where: short stacking energy: -92.450
Base-Backbone interact. energy: -0.457
local terms energy: -89.217791
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -18.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -336.881470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.881470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.881470 (E_RNA)
where:
Base-Base interactions energy: -245.003
where: short stacking energy: -91.737
Base-Backbone interact. energy: -0.170
local terms energy: -91.708162
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -22.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -292.005907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.005907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.005907 (E_RNA)
where:
Base-Base interactions energy: -198.639
where: short stacking energy: -84.274
Base-Backbone interact. energy: -0.661
local terms energy: -92.706296
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -23.039
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -21.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -306.254008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.254008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.254008 (E_RNA)
where:
Base-Base interactions energy: -211.398
where: short stacking energy: -96.040
Base-Backbone interact. energy: -0.002
local terms energy: -94.854372
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -27.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -249.788902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.788902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.788902 (E_RNA)
where:
Base-Base interactions energy: -161.602
where: short stacking energy: -81.483
Base-Backbone interact. energy: -0.087
local terms energy: -88.099898
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -11.714
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: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -175.324508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.324508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.324508 (E_RNA)
where:
Base-Base interactions energy: -118.124
where: short stacking energy: -57.843
Base-Backbone interact. energy: -1.164
local terms energy: -56.036977
where:
bonds (distance) C4'-P energy: -7.671
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -108.738140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.738140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.738140 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -35.412
Base-Backbone interact. energy: -0.163
local terms energy: -68.812790
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -7.920
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: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -114.524575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.524575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.524575 (E_RNA)
where:
Base-Base interactions energy: -52.606
where: short stacking energy: -46.323
Base-Backbone interact. energy: 0.401
local terms energy: -62.320100
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -346.788672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.788672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.788672 (E_RNA)
where:
Base-Base interactions energy: -243.311
where: short stacking energy: -97.110
Base-Backbone interact. energy: 1.850
local terms energy: -105.327346
where:
bonds (distance) C4'-P energy: -24.360
bonds (distance) P-C4' energy: -24.165
flat angles C4'-P-C4' energy: -21.543
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -23.834
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: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -338.406662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.406662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.406662 (E_RNA)
where:
Base-Base interactions energy: -233.798
where: short stacking energy: -99.696
Base-Backbone interact. energy: -0.295
local terms energy: -104.313549
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -336.982842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.982842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.982842 (E_RNA)
where:
Base-Base interactions energy: -238.515
where: short stacking energy: -95.703
Base-Backbone interact. energy: -0.800
local terms energy: -97.668475
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -19.247
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -17.361
tors. eta vs tors. theta energy: -19.732
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: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -327.879474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.879474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.879474 (E_RNA)
where:
Base-Base interactions energy: -243.488
where: short stacking energy: -97.963
Base-Backbone interact. energy: -0.024
local terms energy: -84.367242
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -314.195264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.195264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.195264 (E_RNA)
where:
Base-Base interactions energy: -217.436
where: short stacking energy: -94.289
Base-Backbone interact. energy: -0.051
local terms energy: -96.707585
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -20.394
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -28.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -273.156545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.156545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.156545 (E_RNA)
where:
Base-Base interactions energy: -184.969
where: short stacking energy: -86.256
Base-Backbone interact. energy: -0.456
local terms energy: -87.731077
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -24.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -172.212067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.212067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.212067 (E_RNA)
where:
Base-Base interactions energy: -99.890
where: short stacking energy: -47.600
Base-Backbone interact. energy: -0.236
local terms energy: -72.086309
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -223.989207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.989207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.989207 (E_RNA)
where:
Base-Base interactions energy: -136.691
where: short stacking energy: -69.750
Base-Backbone interact. energy: 1.167
local terms energy: -88.465331
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -18.682
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: 154
Temperature: 1.300000
Total energy: -111.609778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.609778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.609778 (E_RNA)
where:
Base-Base interactions energy: -48.610
where: short stacking energy: -45.465
Base-Backbone interact. energy: 0.135
local terms energy: -63.134512
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -5.476
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: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -97.600183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.600183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.600183 (E_RNA)
where:
Base-Base interactions energy: -43.642
where: short stacking energy: -30.971
Base-Backbone interact. energy: -0.095
local terms energy: -53.863697
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -9.365
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: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -355.459766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.459766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.459766 (E_RNA)
where:
Base-Base interactions energy: -255.748
where: short stacking energy: -93.807
Base-Backbone interact. energy: -0.564
local terms energy: -99.147771
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -17.508
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: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -349.521348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.521348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.521348 (E_RNA)
where:
Base-Base interactions energy: -250.219
where: short stacking energy: -99.645
Base-Backbone interact. energy: -0.063
local terms energy: -99.239169
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -24.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -335.598240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.598240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.598240 (E_RNA)
where:
Base-Base interactions energy: -236.031
where: short stacking energy: -94.622
Base-Backbone interact. energy: -0.034
local terms energy: -99.532993
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -18.811
tors. eta vs tors. theta energy: -24.392
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: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -330.248776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.248776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.248776 (E_RNA)
where:
Base-Base interactions energy: -229.671
where: short stacking energy: -99.418
Base-Backbone interact. energy: -0.461
local terms energy: -100.116511
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -31.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -321.228986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.228986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.228986 (E_RNA)
where:
Base-Base interactions energy: -227.826
where: short stacking energy: -91.584
Base-Backbone interact. energy: -0.115
local terms energy: -93.287601
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -21.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -282.819798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.819798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.819798 (E_RNA)
where:
Base-Base interactions energy: -187.195
where: short stacking energy: -86.984
Base-Backbone interact. energy: -1.367
local terms energy: -94.257336
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -22.324
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: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -191.552801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.552801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.552801 (E_RNA)
where:
Base-Base interactions energy: -115.200
where: short stacking energy: -58.693
Base-Backbone interact. energy: -0.984
local terms energy: -75.368804
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -6.407
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: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -232.799385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.799385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.799385 (E_RNA)
where:
Base-Base interactions energy: -142.955
where: short stacking energy: -73.684
Base-Backbone interact. energy: -0.314
local terms energy: -89.529888
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -123.154700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.154700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.154700 (E_RNA)
where:
Base-Base interactions energy: -49.683
where: short stacking energy: -36.302
Base-Backbone interact. energy: -0.361
local terms energy: -73.110451
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -95.861650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.861650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.861650 (E_RNA)
where:
Base-Base interactions energy: -40.384
where: short stacking energy: -24.939
Base-Backbone interact. energy: -0.172
local terms energy: -55.305808
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -349.800504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.800504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.800504 (E_RNA)
where:
Base-Base interactions energy: -253.351
where: short stacking energy: -95.067
Base-Backbone interact. energy: -0.433
local terms energy: -96.016411
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -21.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -355.311826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.311826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.311826 (E_RNA)
where:
Base-Base interactions energy: -254.954
where: short stacking energy: -94.405
Base-Backbone interact. energy: -0.191
local terms energy: -100.166850
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -26.257
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: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -326.386963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.386963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.386963 (E_RNA)
where:
Base-Base interactions energy: -229.828
where: short stacking energy: -94.672
Base-Backbone interact. energy: -0.126
local terms energy: -96.432943
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -24.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -325.308167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.308167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.308167 (E_RNA)
where:
Base-Base interactions energy: -218.667
where: short stacking energy: -106.510
Base-Backbone interact. energy: -0.239
local terms energy: -106.402240
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -30.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -333.040498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.040498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.040498 (E_RNA)
where:
Base-Base interactions energy: -238.134
where: short stacking energy: -100.001
Base-Backbone interact. energy: -0.331
local terms energy: -94.575695
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -26.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -281.794147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.794147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.794147 (E_RNA)
where:
Base-Base interactions energy: -193.207
where: short stacking energy: -84.872
Base-Backbone interact. energy: 0.527
local terms energy: -89.114212
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -230.954881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.954881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.954881 (E_RNA)
where:
Base-Base interactions energy: -143.917
where: short stacking energy: -73.637
Base-Backbone interact. energy: -0.084
local terms energy: -86.953563
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -191.857928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.857928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.857928 (E_RNA)
where:
Base-Base interactions energy: -115.549
where: short stacking energy: -58.349
Base-Backbone interact. energy: -0.037
local terms energy: -76.272421
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -11.549
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: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -103.708268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.708268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.708268 (E_RNA)
where:
Base-Base interactions energy: -46.509
where: short stacking energy: -33.167
Base-Backbone interact. energy: -0.264
local terms energy: -56.935499
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: 4.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -94.262203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.262203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.262203 (E_RNA)
where:
Base-Base interactions energy: -26.279
where: short stacking energy: -24.244
Base-Backbone interact. energy: -0.223
local terms energy: -67.760421
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -7.097
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: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -357.067024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.067024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.067024 (E_RNA)
where:
Base-Base interactions energy: -256.030
where: short stacking energy: -96.731
Base-Backbone interact. energy: -0.366
local terms energy: -100.671419
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -24.089
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -330.309180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.309180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.309180 (E_RNA)
where:
Base-Base interactions energy: -230.650
where: short stacking energy: -96.002
Base-Backbone interact. energy: -0.293
local terms energy: -99.365671
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -23.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -341.322483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.322483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.322483 (E_RNA)
where:
Base-Base interactions energy: -240.894
where: short stacking energy: -93.696
Base-Backbone interact. energy: -0.054
local terms energy: -100.374363
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -25.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -338.218372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.218372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.218372 (E_RNA)
where:
Base-Base interactions energy: -237.006
where: short stacking energy: -91.910
Base-Backbone interact. energy: -0.088
local terms energy: -101.125055
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -24.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -302.623392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.623392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.623392 (E_RNA)
where:
Base-Base interactions energy: -195.808
where: short stacking energy: -97.650
Base-Backbone interact. energy: -0.018
local terms energy: -106.797721
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -31.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -291.789862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.789862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.789862 (E_RNA)
where:
Base-Base interactions energy: -193.494
where: short stacking energy: -78.097
Base-Backbone interact. energy: -2.115
local terms energy: -96.180666
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -13.705
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: 7, replica: 9
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -225.925073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.925073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.925073 (E_RNA)
where:
Base-Base interactions energy: -143.625
where: short stacking energy: -68.027
Base-Backbone interact. energy: -0.730
local terms energy: -81.570178
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -23.063
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -14.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -181.188760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.188760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.188760 (E_RNA)
where:
Base-Base interactions energy: -107.549
where: short stacking energy: -56.767
Base-Backbone interact. energy: -0.193
local terms energy: -73.447035
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -10.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -128.232088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.232088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.232088 (E_RNA)
where:
Base-Base interactions energy: -66.056
where: short stacking energy: -28.030
Base-Backbone interact. energy: -0.106
local terms energy: -62.070852
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: 0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -105.414054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.414054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.414054 (E_RNA)
where:
Base-Base interactions energy: -45.931
where: short stacking energy: -39.819
Base-Backbone interact. energy: -1.253
local terms energy: -58.229661
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -343.851127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.851127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.851127 (E_RNA)
where:
Base-Base interactions energy: -247.092
where: short stacking energy: -99.182
Base-Backbone interact. energy: -0.053
local terms energy: -96.706236
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -20.403
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: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -352.903483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.903483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.903483 (E_RNA)
where:
Base-Base interactions energy: -260.428
where: short stacking energy: -91.903
Base-Backbone interact. energy: -0.299
local terms energy: -92.176628
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -22.821
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: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -347.348204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.348204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.348204 (E_RNA)
where:
Base-Base interactions energy: -245.048
where: short stacking energy: -93.342
Base-Backbone interact. energy: -0.157
local terms energy: -102.143178
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -23.669
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: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -347.303073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.303073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.303073 (E_RNA)
where:
Base-Base interactions energy: -245.094
where: short stacking energy: -91.207
Base-Backbone interact. energy: -0.243
local terms energy: -101.965972
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -25.744
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: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -286.606579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.606579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.606579 (E_RNA)
where:
Base-Base interactions energy: -189.585
where: short stacking energy: -92.533
Base-Backbone interact. energy: -0.042
local terms energy: -96.979134
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -26.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -289.337134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.337134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.337134 (E_RNA)
where:
Base-Base interactions energy: -199.686
where: short stacking energy: -86.175
Base-Backbone interact. energy: -0.125
local terms energy: -89.526019
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -23.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -240.854713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.854713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.854713 (E_RNA)
where:
Base-Base interactions energy: -147.271
where: short stacking energy: -82.258
Base-Backbone interact. energy: -0.003
local terms energy: -93.580604
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -172.784348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.784348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.784348 (E_RNA)
where:
Base-Base interactions energy: -102.472
where: short stacking energy: -52.268
Base-Backbone interact. energy: -0.114
local terms energy: -70.197731
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -8.402
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: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -114.153529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.153529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.153529 (E_RNA)
where:
Base-Base interactions energy: -44.076
where: short stacking energy: -43.529
Base-Backbone interact. energy: 0.139
local terms energy: -70.217088
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -8.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -108.030865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.030865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.030865 (E_RNA)
where:
Base-Base interactions energy: -44.775
where: short stacking energy: -22.830
Base-Backbone interact. energy: -0.449
local terms energy: -62.806320
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -8.478
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: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -343.106235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.106235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.106235 (E_RNA)
where:
Base-Base interactions energy: -245.825
where: short stacking energy: -103.887
Base-Backbone interact. energy: -0.263
local terms energy: -97.018002
where:
bonds (distance) C4'-P energy: -22.157
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -20.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -351.450026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.450026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.450026 (E_RNA)
where:
Base-Base interactions energy: -244.882
where: short stacking energy: -99.954
Base-Backbone interact. energy: -0.001
local terms energy: -106.567224
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -28.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -346.653033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.653033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.653033 (E_RNA)
where:
Base-Base interactions energy: -245.329
where: short stacking energy: -87.971
Base-Backbone interact. energy: -1.189
local terms energy: -100.134990
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -22.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -339.274343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.274343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.274343 (E_RNA)
where:
Base-Base interactions energy: -246.113
where: short stacking energy: -86.834
Base-Backbone interact. energy: -0.142
local terms energy: -93.019339
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -278.781069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.781069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.781069 (E_RNA)
where:
Base-Base interactions energy: -182.452
where: short stacking energy: -84.349
Base-Backbone interact. energy: -0.279
local terms energy: -96.050438
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -22.665
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: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -316.307892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.307892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.307892 (E_RNA)
where:
Base-Base interactions energy: -213.535
where: short stacking energy: -91.636
Base-Backbone interact. energy: -0.042
local terms energy: -102.731074
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -25.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -202.116412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.116412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.116412 (E_RNA)
where:
Base-Base interactions energy: -128.525
where: short stacking energy: -63.690
Base-Backbone interact. energy: -0.102
local terms energy: -73.489701
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -170.425847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.425847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.425847 (E_RNA)
where:
Base-Base interactions energy: -92.041
where: short stacking energy: -52.099
Base-Backbone interact. energy: -0.023
local terms energy: -78.362091
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -124.064163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.064163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.064163 (E_RNA)
where:
Base-Base interactions energy: -61.770
where: short stacking energy: -51.411
Base-Backbone interact. energy: 1.076
local terms energy: -63.370799
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -3.239
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -107.136856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.136856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.136856 (E_RNA)
where:
Base-Base interactions energy: -34.991
where: short stacking energy: -31.371
Base-Backbone interact. energy: -1.120
local terms energy: -71.025509
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -356.468177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.468177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.468177 (E_RNA)
where:
Base-Base interactions energy: -249.715
where: short stacking energy: -98.959
Base-Backbone interact. energy: -0.023
local terms energy: -106.729498
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -21.798
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -18.937
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: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -334.513657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.513657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.513657 (E_RNA)
where:
Base-Base interactions energy: -228.825
where: short stacking energy: -102.509
Base-Backbone interact. energy: -0.506
local terms energy: -105.182507
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -23.850
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -29.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -344.191733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.191733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.191733 (E_RNA)
where:
Base-Base interactions energy: -238.569
where: short stacking energy: -90.569
Base-Backbone interact. energy: -0.769
local terms energy: -104.854196
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -25.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -339.786679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.786679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.786679 (E_RNA)
where:
Base-Base interactions energy: -242.339
where: short stacking energy: -93.966
Base-Backbone interact. energy: -0.598
local terms energy: -96.849661
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -303.410528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.410528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.410528 (E_RNA)
where:
Base-Base interactions energy: -208.506
where: short stacking energy: -91.258
Base-Backbone interact. energy: -0.486
local terms energy: -94.418174
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -260.698779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.698779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.698779 (E_RNA)
where:
Base-Base interactions energy: -175.829
where: short stacking energy: -71.562
Base-Backbone interact. energy: -0.134
local terms energy: -84.735421
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -14.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -237.488645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.488645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.488645 (E_RNA)
where:
Base-Base interactions energy: -146.686
where: short stacking energy: -74.361
Base-Backbone interact. energy: -0.438
local terms energy: -90.363928
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -192.721923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.721923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.721923 (E_RNA)
where:
Base-Base interactions energy: -116.836
where: short stacking energy: -66.357
Base-Backbone interact. energy: -0.505
local terms energy: -75.380264
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -12.243
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: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -103.083220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.083220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.083220 (E_RNA)
where:
Base-Base interactions energy: -49.121
where: short stacking energy: -32.832
Base-Backbone interact. energy: 0.036
local terms energy: -53.998978
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: 4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -101.652897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.652897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.652897 (E_RNA)
where:
Base-Base interactions energy: -39.120
where: short stacking energy: -19.595
Base-Backbone interact. energy: -0.071
local terms energy: -62.462704
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: 1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -354.432168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.432168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.432168 (E_RNA)
where:
Base-Base interactions energy: -244.672
where: short stacking energy: -110.288
Base-Backbone interact. energy: -0.002
local terms energy: -109.758443
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -30.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -344.733987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.733987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.733987 (E_RNA)
where:
Base-Base interactions energy: -242.638
where: short stacking energy: -86.841
Base-Backbone interact. energy: -0.491
local terms energy: -101.604781
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -23.931
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -331.217471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.217471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.217471 (E_RNA)
where:
Base-Base interactions energy: -237.607
where: short stacking energy: -94.123
Base-Backbone interact. energy: 0.334
local terms energy: -93.944189
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -23.228
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: 4, replica: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -343.187577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.187577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.187577 (E_RNA)
where:
Base-Base interactions energy: -250.120
where: short stacking energy: -96.448
Base-Backbone interact. energy: 1.411
local terms energy: -94.479000
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -24.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -291.533111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.533111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.533111 (E_RNA)
where:
Base-Base interactions energy: -205.538
where: short stacking energy: -83.739
Base-Backbone interact. energy: -0.768
local terms energy: -85.226507
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -13.023
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: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -237.679135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.679135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.679135 (E_RNA)
where:
Base-Base interactions energy: -150.550
where: short stacking energy: -59.587
Base-Backbone interact. energy: -0.020
local terms energy: -87.108973
where:
bonds (distance) C4'-P energy: -21.838
bonds (distance) P-C4' energy: -19.423
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -11.466
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: 161
Temperature: 1.200000
Total energy: -239.494619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.494619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.494619 (E_RNA)
where:
Base-Base interactions energy: -155.487
where: short stacking energy: -61.057
Base-Backbone interact. energy: -0.063
local terms energy: -83.944310
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -172.212313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.212313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.212313 (E_RNA)
where:
Base-Base interactions energy: -97.325
where: short stacking energy: -51.652
Base-Backbone interact. energy: -0.070
local terms energy: -74.818016
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -17.314
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -10.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -114.141027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.141027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.141027 (E_RNA)
where:
Base-Base interactions energy: -40.695
where: short stacking energy: -35.127
Base-Backbone interact. energy: -0.498
local terms energy: -72.947412
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -98.181182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.181182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.181182 (E_RNA)
where:
Base-Base interactions energy: -51.418
where: short stacking energy: -32.084
Base-Backbone interact. energy: 0.023
local terms energy: -46.786440
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: 7.258
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: 1, replica: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -350.613542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.613542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.613542 (E_RNA)
where:
Base-Base interactions energy: -252.436
where: short stacking energy: -88.936
Base-Backbone interact. energy: -0.283
local terms energy: -97.894195
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -339.058360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.058360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.058360 (E_RNA)
where:
Base-Base interactions energy: -230.658
where: short stacking energy: -92.059
Base-Backbone interact. energy: -0.011
local terms energy: -108.390171
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -30.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -354.654864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.654864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.654864 (E_RNA)
where:
Base-Base interactions energy: -254.120
where: short stacking energy: -90.849
Base-Backbone interact. energy: 0.586
local terms energy: -101.120456
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -20.801
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -24.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -317.920468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.920468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.920468 (E_RNA)
where:
Base-Base interactions energy: -235.499
where: short stacking energy: -87.012
Base-Backbone interact. energy: -0.084
local terms energy: -82.336764
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -13.400
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: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -289.824881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.824881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.824881 (E_RNA)
where:
Base-Base interactions energy: -196.884
where: short stacking energy: -81.255
Base-Backbone interact. energy: -0.119
local terms energy: -92.821848
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -244.625814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.625814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.625814 (E_RNA)
where:
Base-Base interactions energy: -152.196
where: short stacking energy: -81.252
Base-Backbone interact. energy: -0.258
local terms energy: -92.171583
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -22.148
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: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -187.682041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.682041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.682041 (E_RNA)
where:
Base-Base interactions energy: -114.446
where: short stacking energy: -68.696
Base-Backbone interact. energy: -0.590
local terms energy: -72.646564
where:
bonds (distance) C4'-P energy: -8.925
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -8.750
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: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -232.007164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.007164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.007164 (E_RNA)
where:
Base-Base interactions energy: -148.207
where: short stacking energy: -63.760
Base-Backbone interact. energy: -0.441
local terms energy: -83.359096
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -16.118
tors. eta vs tors. theta energy: -12.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -121.392348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.392348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.392348 (E_RNA)
where:
Base-Base interactions energy: -52.167
where: short stacking energy: -42.083
Base-Backbone interact. energy: 0.521
local terms energy: -69.746280
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -125.338320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.338320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.338320 (E_RNA)
where:
Base-Base interactions energy: -62.889
where: short stacking energy: -31.688
Base-Backbone interact. energy: 1.617
local terms energy: -64.066564
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -351.974887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.974887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.974887 (E_RNA)
where:
Base-Base interactions energy: -251.746
where: short stacking energy: -91.914
Base-Backbone interact. energy: -0.297
local terms energy: -99.932504
where:
bonds (distance) C4'-P energy: -24.980
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -19.524
flat angles P-C4'-P energy: -16.547
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: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -353.939249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.939249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.939249 (E_RNA)
where:
Base-Base interactions energy: -250.336
where: short stacking energy: -94.770
Base-Backbone interact. energy: -0.108
local terms energy: -103.495330
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -23.004
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: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -347.925910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.925910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.925910 (E_RNA)
where:
Base-Base interactions energy: -249.890
where: short stacking energy: -93.139
Base-Backbone interact. energy: -0.804
local terms energy: -97.232013
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -25.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -304.995130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.995130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.995130 (E_RNA)
where:
Base-Base interactions energy: -210.007
where: short stacking energy: -91.216
Base-Backbone interact. energy: -0.076
local terms energy: -94.911468
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -25.273
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: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -294.311186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.311186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.311186 (E_RNA)
where:
Base-Base interactions energy: -207.778
where: short stacking energy: -98.359
Base-Backbone interact. energy: 0.483
local terms energy: -87.016262
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -22.415
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: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -241.111040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.111040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.111040 (E_RNA)
where:
Base-Base interactions energy: -149.404
where: short stacking energy: -78.217
Base-Backbone interact. energy: -0.250
local terms energy: -91.457402
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -168.158677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.158677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.158677 (E_RNA)
where:
Base-Base interactions energy: -100.510
where: short stacking energy: -57.545
Base-Backbone interact. energy: -0.107
local terms energy: -67.541847
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -12.148
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: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -227.859101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.859101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.859101 (E_RNA)
where:
Base-Base interactions energy: -160.832
where: short stacking energy: -70.065
Base-Backbone interact. energy: 1.045
local terms energy: -68.072001
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -8.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -108.804252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.804252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.804252 (E_RNA)
where:
Base-Base interactions energy: -40.838
where: short stacking energy: -33.504
Base-Backbone interact. energy: -0.682
local terms energy: -67.283978
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: 0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -132.331049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.331049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.331049 (E_RNA)
where:
Base-Base interactions energy: -64.957
where: short stacking energy: -28.068
Base-Backbone interact. energy: -0.758
local terms energy: -66.616264
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -364.050290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.050290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.050290 (E_RNA)
where:
Base-Base interactions energy: -258.447
where: short stacking energy: -102.512
Base-Backbone interact. energy: -0.306
local terms energy: -105.297560
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -343.327826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.327826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.327826 (E_RNA)
where:
Base-Base interactions energy: -255.873
where: short stacking energy: -88.772
Base-Backbone interact. energy: -0.368
local terms energy: -87.086976
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -351.052201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.052201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.052201 (E_RNA)
where:
Base-Base interactions energy: -252.928
where: short stacking energy: -103.257
Base-Backbone interact. energy: -0.410
local terms energy: -97.713890
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -26.370
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: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -319.233534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.233534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.233534 (E_RNA)
where:
Base-Base interactions energy: -228.619
where: short stacking energy: -94.910
Base-Backbone interact. energy: 0.318
local terms energy: -90.932380
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -24.328
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: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -305.768190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.768190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.768190 (E_RNA)
where:
Base-Base interactions energy: -204.483
where: short stacking energy: -99.361
Base-Backbone interact. energy: -0.884
local terms energy: -100.401592
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -23.204
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -24.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -247.596691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.596691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.596691 (E_RNA)
where:
Base-Base interactions energy: -156.976
where: short stacking energy: -73.085
Base-Backbone interact. energy: -0.484
local terms energy: -90.136124
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -17.585
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: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -225.365101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.365101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.365101 (E_RNA)
where:
Base-Base interactions energy: -145.566
where: short stacking energy: -63.694
Base-Backbone interact. energy: -0.611
local terms energy: -79.188645
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -172.819010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.819010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.819010 (E_RNA)
where:
Base-Base interactions energy: -102.941
where: short stacking energy: -56.002
Base-Backbone interact. energy: -0.197
local terms energy: -69.681648
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -114.283100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.283100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.283100 (E_RNA)
where:
Base-Base interactions energy: -53.590
where: short stacking energy: -38.634
Base-Backbone interact. energy: -0.860
local terms energy: -59.833755
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -105.489841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.489841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.489841 (E_RNA)
where:
Base-Base interactions energy: -45.909
where: short stacking energy: -45.818
Base-Backbone interact. energy: -0.241
local terms energy: -59.340559
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -362.563428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.563428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.563428 (E_RNA)
where:
Base-Base interactions energy: -263.829
where: short stacking energy: -102.365
Base-Backbone interact. energy: -0.091
local terms energy: -98.643583
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -16.396
tors. eta vs tors. theta energy: -22.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -362.436521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.436521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.436521 (E_RNA)
where:
Base-Base interactions energy: -253.857
where: short stacking energy: -104.782
Base-Backbone interact. energy: -0.097
local terms energy: -108.483130
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -19.767
tors. eta vs tors. theta energy: -26.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -335.636956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.636956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.636956 (E_RNA)
where:
Base-Base interactions energy: -246.233
where: short stacking energy: -81.813
Base-Backbone interact. energy: -0.369
local terms energy: -89.035010
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -11.501
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: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -303.317703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.317703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.317703 (E_RNA)
where:
Base-Base interactions energy: -207.572
where: short stacking energy: -94.153
Base-Backbone interact. energy: -0.140
local terms energy: -95.605334
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -23.627
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: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -304.837328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.837328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.837328 (E_RNA)
where:
Base-Base interactions energy: -205.545
where: short stacking energy: -93.178
Base-Backbone interact. energy: 0.795
local terms energy: -100.086878
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -19.778
tors. eta vs tors. theta energy: -22.778
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: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -196.761849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.761849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.761849 (E_RNA)
where:
Base-Base interactions energy: -126.063
where: short stacking energy: -60.316
Base-Backbone interact. energy: -0.432
local terms energy: -70.266938
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -11.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -227.471742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.471742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.471742 (E_RNA)
where:
Base-Base interactions energy: -137.125
where: short stacking energy: -64.427
Base-Backbone interact. energy: -0.232
local terms energy: -90.114912
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -178.825168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.825168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.825168 (E_RNA)
where:
Base-Base interactions energy: -98.406
where: short stacking energy: -56.886
Base-Backbone interact. energy: -0.185
local terms energy: -80.233879
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -111.982208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.982208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.982208 (E_RNA)
where:
Base-Base interactions energy: -43.019
where: short stacking energy: -39.907
Base-Backbone interact. energy: -0.811
local terms energy: -68.152003
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -104.375585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.375585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.375585 (E_RNA)
where:
Base-Base interactions energy: -41.593
where: short stacking energy: -19.216
Base-Backbone interact. energy: -0.300
local terms energy: -62.482735
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: 2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -367.525906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.525906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.525906 (E_RNA)
where:
Base-Base interactions energy: -257.475
where: short stacking energy: -95.918
Base-Backbone interact. energy: -0.123
local terms energy: -109.927865
where:
bonds (distance) C4'-P energy: -22.017
bonds (distance) P-C4' energy: -23.319
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -358.677480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.677480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.677480 (E_RNA)
where:
Base-Base interactions energy: -254.043
where: short stacking energy: -96.518
Base-Backbone interact. energy: -0.553
local terms energy: -104.081452
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -23.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -335.436301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.436301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.436301 (E_RNA)
where:
Base-Base interactions energy: -239.841
where: short stacking energy: -92.502
Base-Backbone interact. energy: -0.411
local terms energy: -95.184494
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -316.591816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.591816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.591816 (E_RNA)
where:
Base-Base interactions energy: -221.125
where: short stacking energy: -88.581
Base-Backbone interact. energy: -0.602
local terms energy: -94.864461
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -25.089
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: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -295.945037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.945037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.945037 (E_RNA)
where:
Base-Base interactions energy: -206.409
where: short stacking energy: -102.653
Base-Backbone interact. energy: -0.076
local terms energy: -89.459869
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -207.034677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.034677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.034677 (E_RNA)
where:
Base-Base interactions energy: -127.562
where: short stacking energy: -76.962
Base-Backbone interact. energy: -0.800
local terms energy: -78.673314
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -237.556782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.556782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.556782 (E_RNA)
where:
Base-Base interactions energy: -147.619
where: short stacking energy: -72.298
Base-Backbone interact. energy: -0.445
local terms energy: -89.492974
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -24.302
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -189.341157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.341157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.341157 (E_RNA)
where:
Base-Base interactions energy: -103.009
where: short stacking energy: -59.206
Base-Backbone interact. energy: -0.977
local terms energy: -85.354929
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -11.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -106.921915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.921915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.921915 (E_RNA)
where:
Base-Base interactions energy: -42.887
where: short stacking energy: -40.253
Base-Backbone interact. energy: -0.123
local terms energy: -63.912306
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -104.475801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.475801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.475801 (E_RNA)
where:
Base-Base interactions energy: -52.328
where: short stacking energy: -30.658
Base-Backbone interact. energy: -0.170
local terms energy: -51.976933
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: 5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -356.790961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.790961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.790961 (E_RNA)
where:
Base-Base interactions energy: -246.470
where: short stacking energy: -94.059
Base-Backbone interact. energy: -0.884
local terms energy: -109.437387
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -24.530
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -23.048
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: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -334.322844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.322844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.322844 (E_RNA)
where:
Base-Base interactions energy: -236.402
where: short stacking energy: -83.261
Base-Backbone interact. energy: -1.521
local terms energy: -96.399822
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -12.277
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: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -348.079898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.079898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.079898 (E_RNA)
where:
Base-Base interactions energy: -251.147
where: short stacking energy: -91.054
Base-Backbone interact. energy: -0.466
local terms energy: -96.466424
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -23.837
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -25.956
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: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -310.855977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.855977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.855977 (E_RNA)
where:
Base-Base interactions energy: -212.014
where: short stacking energy: -91.213
Base-Backbone interact. energy: -0.235
local terms energy: -98.607525
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -23.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -297.506475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.506475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.506475 (E_RNA)
where:
Base-Base interactions energy: -204.962
where: short stacking energy: -82.785
Base-Backbone interact. energy: -0.745
local terms energy: -91.798654
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -242.340628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.340628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.340628 (E_RNA)
where:
Base-Base interactions energy: -145.829
where: short stacking energy: -80.466
Base-Backbone interact. energy: -0.043
local terms energy: -96.468035
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -21.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -198.765293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.765293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.765293 (E_RNA)
where:
Base-Base interactions energy: -121.590
where: short stacking energy: -69.731
Base-Backbone interact. energy: -0.035
local terms energy: -77.139948
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -15.968
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: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -172.762705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.762705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.762705 (E_RNA)
where:
Base-Base interactions energy: -103.345
where: short stacking energy: -57.236
Base-Backbone interact. energy: 0.493
local terms energy: -69.910611
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -110.896754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.896754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.896754 (E_RNA)
where:
Base-Base interactions energy: -59.345
where: short stacking energy: -42.621
Base-Backbone interact. energy: -0.060
local terms energy: -51.492370
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -2.180
tors. eta vs tors. theta energy: -7.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -118.522821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.522821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.522821 (E_RNA)
where:
Base-Base interactions energy: -50.940
where: short stacking energy: -25.270
Base-Backbone interact. energy: -1.174
local terms energy: -66.408700
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -357.409027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.409027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.409027 (E_RNA)
where:
Base-Base interactions energy: -255.793
where: short stacking energy: -96.956
Base-Backbone interact. energy: -1.135
local terms energy: -100.480992
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -27.506
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: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -356.593790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.593790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.593790 (E_RNA)
where:
Base-Base interactions energy: -248.585
where: short stacking energy: -97.168
Base-Backbone interact. energy: -0.589
local terms energy: -107.419640
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -23.326
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -27.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -342.954389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.954389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.954389 (E_RNA)
where:
Base-Base interactions energy: -242.260
where: short stacking energy: -91.723
Base-Backbone interact. energy: -0.143
local terms energy: -100.551293
where:
bonds (distance) C4'-P energy: -22.621
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -14.637
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: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -306.384004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.384004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.384004 (E_RNA)
where:
Base-Base interactions energy: -210.921
where: short stacking energy: -93.156
Base-Backbone interact. energy: -0.198
local terms energy: -95.265597
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -286.849861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.849861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.849861 (E_RNA)
where:
Base-Base interactions energy: -203.861
where: short stacking energy: -81.565
Base-Backbone interact. energy: -0.172
local terms energy: -82.817002
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -236.530512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.530512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.530512 (E_RNA)
where:
Base-Base interactions energy: -146.883
where: short stacking energy: -73.280
Base-Backbone interact. energy: -0.672
local terms energy: -88.975106
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -13.083
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: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -183.419125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.419125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.419125 (E_RNA)
where:
Base-Base interactions energy: -119.830
where: short stacking energy: -52.957
Base-Backbone interact. energy: -0.454
local terms energy: -63.134974
where:
bonds (distance) C4'-P energy: -8.421
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -10.936
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: 8, replica: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -225.543733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.543733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.543733 (E_RNA)
where:
Base-Base interactions energy: -157.751
where: short stacking energy: -62.154
Base-Backbone interact. energy: -0.455
local terms energy: -67.337695
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -160.583613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.583613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.583613 (E_RNA)
where:
Base-Base interactions energy: -99.977
where: short stacking energy: -44.555
Base-Backbone interact. energy: -0.245
local terms energy: -60.361359
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -114.468648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.468648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.468648 (E_RNA)
where:
Base-Base interactions energy: -48.486
where: short stacking energy: -33.567
Base-Backbone interact. energy: -0.284
local terms energy: -65.698288
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -9.584
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: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -361.406520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.406520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.406520 (E_RNA)
where:
Base-Base interactions energy: -262.880
where: short stacking energy: -92.915
Base-Backbone interact. energy: -0.595
local terms energy: -97.931686
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -24.860
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: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -352.424067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.424067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.424067 (E_RNA)
where:
Base-Base interactions energy: -255.078
where: short stacking energy: -99.447
Base-Backbone interact. energy: -0.415
local terms energy: -96.931939
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -22.481
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -24.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -348.334227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.334227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.334227 (E_RNA)
where:
Base-Base interactions energy: -247.555
where: short stacking energy: -87.324
Base-Backbone interact. energy: -0.195
local terms energy: -100.584707
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -23.241
flat angles P-C4'-P energy: -10.820
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: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -308.703946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.703946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.703946 (E_RNA)
where:
Base-Base interactions energy: -217.607
where: short stacking energy: -98.675
Base-Backbone interact. energy: -0.018
local terms energy: -91.079395
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -24.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -320.769896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.769896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.769896 (E_RNA)
where:
Base-Base interactions energy: -230.582
where: short stacking energy: -100.542
Base-Backbone interact. energy: -0.387
local terms energy: -89.801504
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -22.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -252.398144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.398144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.398144 (E_RNA)
where:
Base-Base interactions energy: -161.205
where: short stacking energy: -82.040
Base-Backbone interact. energy: -0.141
local terms energy: -91.051891
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -19.354
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -18.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -185.392517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.392517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.392517 (E_RNA)
where:
Base-Base interactions energy: -109.568
where: short stacking energy: -39.906
Base-Backbone interact. energy: -0.568
local terms energy: -75.256101
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -9.459
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: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -217.063164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.063164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.063164 (E_RNA)
where:
Base-Base interactions energy: -144.130
where: short stacking energy: -69.392
Base-Backbone interact. energy: -0.072
local terms energy: -72.861012
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -9.160
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: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -152.330286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.330286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.330286 (E_RNA)
where:
Base-Base interactions energy: -94.354
where: short stacking energy: -42.954
Base-Backbone interact. energy: 1.978
local terms energy: -59.954411
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -3.264
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: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -100.457201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.457201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.457201 (E_RNA)
where:
Base-Base interactions energy: -43.301
where: short stacking energy: -38.859
Base-Backbone interact. energy: -0.054
local terms energy: -57.102365
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -359.002302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.002302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.002302 (E_RNA)
where:
Base-Base interactions energy: -251.531
where: short stacking energy: -96.229
Base-Backbone interact. energy: -0.187
local terms energy: -107.283612
where:
bonds (distance) C4'-P energy: -24.189
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -24.711
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: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -359.378819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.378819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.378819 (E_RNA)
where:
Base-Base interactions energy: -257.352
where: short stacking energy: -96.375
Base-Backbone interact. energy: -0.089
local terms energy: -101.937273
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -309.693804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.693804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.693804 (E_RNA)
where:
Base-Base interactions energy: -205.558
where: short stacking energy: -100.137
Base-Backbone interact. energy: -0.089
local terms energy: -104.047486
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -27.325
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: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -339.156496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.156496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.156496 (E_RNA)
where:
Base-Base interactions energy: -239.896
where: short stacking energy: -94.398
Base-Backbone interact. energy: -0.134
local terms energy: -99.126384
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -23.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -247.547809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.547809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.547809 (E_RNA)
where:
Base-Base interactions energy: -159.008
where: short stacking energy: -80.868
Base-Backbone interact. energy: -0.634
local terms energy: -87.905885
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -294.246983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.246983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.246983 (E_RNA)
where:
Base-Base interactions energy: -200.363
where: short stacking energy: -89.790
Base-Backbone interact. energy: -0.097
local terms energy: -93.786561
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -21.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -220.276366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.276366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.276366 (E_RNA)
where:
Base-Base interactions energy: -135.048
where: short stacking energy: -58.308
Base-Backbone interact. energy: 0.684
local terms energy: -85.912092
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -23.785
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -175.447079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.447079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.447079 (E_RNA)
where:
Base-Base interactions energy: -96.546
where: short stacking energy: -57.144
Base-Backbone interact. energy: -0.548
local terms energy: -78.352315
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -110.247750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.247750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.247750 (E_RNA)
where:
Base-Base interactions energy: -55.060
where: short stacking energy: -38.611
Base-Backbone interact. energy: 1.085
local terms energy: -56.272417
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -131.278591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.278591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.278591 (E_RNA)
where:
Base-Base interactions energy: -62.830
where: short stacking energy: -45.475
Base-Backbone interact. energy: -0.221
local terms energy: -68.228151
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -1.806
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: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -351.035490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.035490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.035490 (E_RNA)
where:
Base-Base interactions energy: -247.927
where: short stacking energy: -92.638
Base-Backbone interact. energy: -0.171
local terms energy: -102.937882
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -24.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -356.733513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.733513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.733513 (E_RNA)
where:
Base-Base interactions energy: -250.464
where: short stacking energy: -96.288
Base-Backbone interact. energy: 0.079
local terms energy: -106.348801
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -27.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -311.953999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.953999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.953999 (E_RNA)
where:
Base-Base interactions energy: -207.208
where: short stacking energy: -96.774
Base-Backbone interact. energy: -0.200
local terms energy: -104.546090
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -20.786
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -28.406
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: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -342.182840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.182840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.182840 (E_RNA)
where:
Base-Base interactions energy: -241.004
where: short stacking energy: -90.994
Base-Backbone interact. energy: -0.089
local terms energy: -101.089924
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -24.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -239.756811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.756811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.756811 (E_RNA)
where:
Base-Base interactions energy: -145.592
where: short stacking energy: -72.873
Base-Backbone interact. energy: -1.237
local terms energy: -92.928512
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -15.619
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: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -299.915510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.915510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.915510 (E_RNA)
where:
Base-Base interactions energy: -207.101
where: short stacking energy: -87.578
Base-Backbone interact. energy: -0.174
local terms energy: -92.640205
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -22.692
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: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -231.977754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.977754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.977754 (E_RNA)
where:
Base-Base interactions energy: -151.366
where: short stacking energy: -67.452
Base-Backbone interact. energy: -0.777
local terms energy: -79.834718
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -18.814
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -12.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -163.804136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.804136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.804136 (E_RNA)
where:
Base-Base interactions energy: -109.931
where: short stacking energy: -48.585
Base-Backbone interact. energy: -0.476
local terms energy: -53.397117
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -112.819056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.819056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.819056 (E_RNA)
where:
Base-Base interactions energy: -46.303
where: short stacking energy: -39.731
Base-Backbone interact. energy: 1.585
local terms energy: -68.101669
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -106.637952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.637952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.637952 (E_RNA)
where:
Base-Base interactions energy: -42.459
where: short stacking energy: -37.665
Base-Backbone interact. energy: -0.123
local terms energy: -64.055749
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -19.560
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -9.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -358.225283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.225283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.225283 (E_RNA)
where:
Base-Base interactions energy: -251.105
where: short stacking energy: -95.694
Base-Backbone interact. energy: -0.145
local terms energy: -106.975536
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -24.829
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -24.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -350.408211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.408211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.408211 (E_RNA)
where:
Base-Base interactions energy: -255.363
where: short stacking energy: -94.507
Base-Backbone interact. energy: -0.934
local terms energy: -94.111610
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -19.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -328.637730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.637730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.637730 (E_RNA)
where:
Base-Base interactions energy: -229.660
where: short stacking energy: -94.222
Base-Backbone interact. energy: -0.014
local terms energy: -98.963682
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -26.309
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: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -344.618174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.618174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.618174 (E_RNA)
where:
Base-Base interactions energy: -243.089
where: short stacking energy: -101.936
Base-Backbone interact. energy: -0.368
local terms energy: -101.161229
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -28.582
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: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -288.370052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.370052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.370052 (E_RNA)
where:
Base-Base interactions energy: -194.239
where: short stacking energy: -82.049
Base-Backbone interact. energy: -0.236
local terms energy: -93.894759
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -239.526834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.526834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.526834 (E_RNA)
where:
Base-Base interactions energy: -149.657
where: short stacking energy: -89.295
Base-Backbone interact. energy: -0.145
local terms energy: -89.724640
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -25.512
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: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -226.353588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.353588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.353588 (E_RNA)
where:
Base-Base interactions energy: -159.505
where: short stacking energy: -60.163
Base-Backbone interact. energy: 0.677
local terms energy: -67.525590
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -171.693870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.693870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.693870 (E_RNA)
where:
Base-Base interactions energy: -101.851
where: short stacking energy: -59.830
Base-Backbone interact. energy: -0.602
local terms energy: -69.240560
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -9.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -116.069827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.069827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.069827 (E_RNA)
where:
Base-Base interactions energy: -54.322
where: short stacking energy: -47.226
Base-Backbone interact. energy: 0.752
local terms energy: -62.500569
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -105.737854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.737854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.737854 (E_RNA)
where:
Base-Base interactions energy: -44.669
where: short stacking energy: -30.565
Base-Backbone interact. energy: -0.827
local terms energy: -60.241454
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: 1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -354.002334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.002334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.002334 (E_RNA)
where:
Base-Base interactions energy: -252.247
where: short stacking energy: -92.422
Base-Backbone interact. energy: -0.196
local terms energy: -101.559171
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -24.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -355.178392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.178392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.178392 (E_RNA)
where:
Base-Base interactions energy: -255.539
where: short stacking energy: -91.304
Base-Backbone interact. energy: -0.139
local terms energy: -99.500481
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -22.914
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -335.734434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.734434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.734434 (E_RNA)
where:
Base-Base interactions energy: -232.339
where: short stacking energy: -94.482
Base-Backbone interact. energy: -0.406
local terms energy: -102.989122
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -27.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -342.470251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.470251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.470251 (E_RNA)
where:
Base-Base interactions energy: -247.346
where: short stacking energy: -101.099
Base-Backbone interact. energy: -0.028
local terms energy: -95.096687
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -25.294
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: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -298.332678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.332678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.332678 (E_RNA)
where:
Base-Base interactions energy: -211.117
where: short stacking energy: -94.544
Base-Backbone interact. energy: -0.102
local terms energy: -87.113860
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -20.955
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: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -235.070326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.070326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.070326 (E_RNA)
where:
Base-Base interactions energy: -144.598
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.837
local terms energy: -89.635959
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -17.707
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: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -220.957195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.957195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.957195 (E_RNA)
where:
Base-Base interactions energy: -141.815
where: short stacking energy: -68.667
Base-Backbone interact. energy: -1.480
local terms energy: -77.662352
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -16.085
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: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -174.390116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.390116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.390116 (E_RNA)
where:
Base-Base interactions energy: -96.859
where: short stacking energy: -55.823
Base-Backbone interact. energy: -0.822
local terms energy: -76.708461
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -10.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -107.152388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.152388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.152388 (E_RNA)
where:
Base-Base interactions energy: -48.898
where: short stacking energy: -35.909
Base-Backbone interact. energy: 0.031
local terms energy: -58.285712
where:
bonds (distance) C4'-P energy: -19.828
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -11.290
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: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -105.872849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.872849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.872849 (E_RNA)
where:
Base-Base interactions energy: -41.420
where: short stacking energy: -19.898
Base-Backbone interact. energy: -0.152
local terms energy: -64.301392
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: 3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -365.887241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.887241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.887241 (E_RNA)
where:
Base-Base interactions energy: -261.658
where: short stacking energy: -101.251
Base-Backbone interact. energy: -0.063
local terms energy: -104.166397
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -21.508
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -14.681
tors. eta vs tors. theta energy: -24.339
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: 2, replica: 1
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -352.756526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.756526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.756526 (E_RNA)
where:
Base-Base interactions energy: -255.036
where: short stacking energy: -103.338
Base-Backbone interact. energy: -0.058
local terms energy: -97.662448
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -26.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -337.355651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.355651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.355651 (E_RNA)
where:
Base-Base interactions energy: -233.117
where: short stacking energy: -99.587
Base-Backbone interact. energy: -0.041
local terms energy: -104.197881
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -26.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -335.259345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.259345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.259345 (E_RNA)
where:
Base-Base interactions energy: -236.496
where: short stacking energy: -100.043
Base-Backbone interact. energy: -0.001
local terms energy: -98.762362
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -27.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -304.515059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.515059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.515059 (E_RNA)
where:
Base-Base interactions energy: -209.713
where: short stacking energy: -86.657
Base-Backbone interact. energy: -0.344
local terms energy: -94.457401
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -22.176
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: 9
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -228.941141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.941141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.941141 (E_RNA)
where:
Base-Base interactions energy: -149.737
where: short stacking energy: -66.255
Base-Backbone interact. energy: -1.539
local terms energy: -77.665045
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -213.992615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.992615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.992615 (E_RNA)
where:
Base-Base interactions energy: -133.967
where: short stacking energy: -61.790
Base-Backbone interact. energy: -0.057
local terms energy: -79.968462
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -19.938
flat angles C4'-P-C4' energy: -24.137
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -9.942
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: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -180.402118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.402118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.402118 (E_RNA)
where:
Base-Base interactions energy: -99.076
where: short stacking energy: -57.199
Base-Backbone interact. energy: -0.096
local terms energy: -81.229845
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -12.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -136.608648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.608648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.608648 (E_RNA)
where:
Base-Base interactions energy: -78.501
where: short stacking energy: -41.185
Base-Backbone interact. energy: -0.516
local terms energy: -57.591080
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -8.828
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: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -102.032262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.032262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.032262 (E_RNA)
where:
Base-Base interactions energy: -45.788
where: short stacking energy: -32.740
Base-Backbone interact. energy: -0.484
local terms energy: -55.760533
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: 2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -359.676820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.676820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.676820 (E_RNA)
where:
Base-Base interactions energy: -254.337
where: short stacking energy: -102.275
Base-Backbone interact. energy: -1.368
local terms energy: -103.972466
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -26.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -364.998692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.998692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.998692 (E_RNA)
where:
Base-Base interactions energy: -259.953
where: short stacking energy: -96.736
Base-Backbone interact. energy: -0.377
local terms energy: -104.668708
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -25.687
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -25.227
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: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -317.988711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.988711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.988711 (E_RNA)
where:
Base-Base interactions energy: -217.097
where: short stacking energy: -81.077
Base-Backbone interact. energy: -0.127
local terms energy: -100.763908
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -13.171
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: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -342.087452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.087452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.087452 (E_RNA)
where:
Base-Base interactions energy: -242.915
where: short stacking energy: -103.145
Base-Backbone interact. energy: -0.350
local terms energy: -98.822492
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -27.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -301.313804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.313804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.313804 (E_RNA)
where:
Base-Base interactions energy: -203.140
where: short stacking energy: -93.747
Base-Backbone interact. energy: -0.116
local terms energy: -98.058038
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -22.990
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: 6, replica: 9
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -261.941194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.941194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.941194 (E_RNA)
where:
Base-Base interactions energy: -154.488
where: short stacking energy: -85.216
Base-Backbone interact. energy: -0.019
local terms energy: -107.434006
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -21.427
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -27.526
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: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -211.198028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.198028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.198028 (E_RNA)
where:
Base-Base interactions energy: -134.809
where: short stacking energy: -54.371
Base-Backbone interact. energy: -0.207
local terms energy: -76.181575
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -4.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -171.574783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.574783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.574783 (E_RNA)
where:
Base-Base interactions energy: -100.771
where: short stacking energy: -44.911
Base-Backbone interact. energy: -0.340
local terms energy: -70.463656
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -177.986069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.986069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.986069 (E_RNA)
where:
Base-Base interactions energy: -104.048
where: short stacking energy: -61.123
Base-Backbone interact. energy: -0.013
local terms energy: -73.924772
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -100.718354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.718354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.718354 (E_RNA)
where:
Base-Base interactions energy: -34.984
where: short stacking energy: -34.984
Base-Backbone interact. energy: 0.940
local terms energy: -66.674373
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -358.865624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.865624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.865624 (E_RNA)
where:
Base-Base interactions energy: -259.090
where: short stacking energy: -99.248
Base-Backbone interact. energy: -0.076
local terms energy: -99.698905
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -349.511926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.511926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.511926 (E_RNA)
where:
Base-Base interactions energy: -251.395
where: short stacking energy: -93.241
Base-Backbone interact. energy: -0.019
local terms energy: -98.098305
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -26.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -338.994984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.994984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.994984 (E_RNA)
where:
Base-Base interactions energy: -245.079
where: short stacking energy: -91.952
Base-Backbone interact. energy: -0.274
local terms energy: -93.642227
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -24.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -313.364985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.364985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.364985 (E_RNA)
where:
Base-Base interactions energy: -209.784
where: short stacking energy: -89.278
Base-Backbone interact. energy: -0.602
local terms energy: -102.978089
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -25.814
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: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -316.947403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.947403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.947403 (E_RNA)
where:
Base-Base interactions energy: -232.700
where: short stacking energy: -98.210
Base-Backbone interact. energy: 1.936
local terms energy: -86.183011
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -244.190296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.190296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.190296 (E_RNA)
where:
Base-Base interactions energy: -152.377
where: short stacking energy: -84.910
Base-Backbone interact. energy: -0.451
local terms energy: -91.362621
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -22.058
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: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -218.403304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.403304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.403304 (E_RNA)
where:
Base-Base interactions energy: -143.723
where: short stacking energy: -68.398
Base-Backbone interact. energy: -0.061
local terms energy: -74.619515
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -9.376
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: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -162.319207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.319207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.319207 (E_RNA)
where:
Base-Base interactions energy: -91.345
where: short stacking energy: -44.457
Base-Backbone interact. energy: 1.050
local terms energy: -72.024132
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -158.308665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.308665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.308665 (E_RNA)
where:
Base-Base interactions energy: -94.175
where: short stacking energy: -43.343
Base-Backbone interact. energy: -0.335
local terms energy: -63.798575
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -18.014
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -104.317871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.317871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.317871 (E_RNA)
where:
Base-Base interactions energy: -39.671
where: short stacking energy: -27.794
Base-Backbone interact. energy: -0.594
local terms energy: -64.053569
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -0.197
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: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -354.898954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.898954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.898954 (E_RNA)
where:
Base-Base interactions energy: -246.359
where: short stacking energy: -94.971
Base-Backbone interact. energy: -0.156
local terms energy: -108.383320
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -23.963
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -28.106
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: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -346.441452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.441452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.441452 (E_RNA)
where:
Base-Base interactions energy: -242.007
where: short stacking energy: -101.068
Base-Backbone interact. energy: 0.417
local terms energy: -104.851571
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -17.058
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: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -343.873126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.873126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.873126 (E_RNA)
where:
Base-Base interactions energy: -244.530
where: short stacking energy: -94.872
Base-Backbone interact. energy: -0.177
local terms energy: -99.166312
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -24.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -311.510202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.510202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.510202 (E_RNA)
where:
Base-Base interactions energy: -222.147
where: short stacking energy: -95.355
Base-Backbone interact. energy: -0.947
local terms energy: -88.416055
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -22.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -307.091000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.091000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.091000 (E_RNA)
where:
Base-Base interactions energy: -199.531
where: short stacking energy: -90.118
Base-Backbone interact. energy: -0.496
local terms energy: -107.063254
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -25.842
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: 9
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -237.509173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.509173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.509173 (E_RNA)
where:
Base-Base interactions energy: -140.472
where: short stacking energy: -80.909
Base-Backbone interact. energy: -1.288
local terms energy: -95.749561
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -210.577534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.577534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.577534 (E_RNA)
where:
Base-Base interactions energy: -142.131
where: short stacking energy: -57.375
Base-Backbone interact. energy: 0.280
local terms energy: -68.726358
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -184.181634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.181634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.181634 (E_RNA)
where:
Base-Base interactions energy: -106.734
where: short stacking energy: -52.678
Base-Backbone interact. energy: 0.560
local terms energy: -78.008275
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -14.529
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: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -165.521459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.521459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.521459 (E_RNA)
where:
Base-Base interactions energy: -89.442
where: short stacking energy: -45.148
Base-Backbone interact. energy: 0.332
local terms energy: -76.411302
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -7.751
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: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -134.989295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.989295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.989295 (E_RNA)
where:
Base-Base interactions energy: -76.432
where: short stacking energy: -43.726
Base-Backbone interact. energy: -0.192
local terms energy: -58.365027
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -8.129
flat angles P-C4'-P energy: -12.298
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: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -353.995673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.995673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.995673 (E_RNA)
where:
Base-Base interactions energy: -253.052
where: short stacking energy: -94.372
Base-Backbone interact. energy: -0.261
local terms energy: -100.682298
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -27.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -345.407433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.407433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.407433 (E_RNA)
where:
Base-Base interactions energy: -243.534
where: short stacking energy: -94.550
Base-Backbone interact. energy: 1.333
local terms energy: -103.206091
where:
bonds (distance) C4'-P energy: -22.836
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -15.685
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: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -349.203664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.203664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.203664 (E_RNA)
where:
Base-Base interactions energy: -250.628
where: short stacking energy: -96.791
Base-Backbone interact. energy: -0.209
local terms energy: -98.367211
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -24.452
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: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -312.057321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.057321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.057321 (E_RNA)
where:
Base-Base interactions energy: -220.881
where: short stacking energy: -88.625
Base-Backbone interact. energy: 1.750
local terms energy: -92.926192
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -20.083
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: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -295.783977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.783977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.783977 (E_RNA)
where:
Base-Base interactions energy: -203.983
where: short stacking energy: -89.758
Base-Backbone interact. energy: -0.287
local terms energy: -91.514780
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -24.638
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: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -231.318643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.318643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.318643 (E_RNA)
where:
Base-Base interactions energy: -155.425
where: short stacking energy: -81.540
Base-Backbone interact. energy: -0.276
local terms energy: -75.617645
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -216.803294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.803294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.803294 (E_RNA)
where:
Base-Base interactions energy: -145.215
where: short stacking energy: -66.659
Base-Backbone interact. energy: -0.162
local terms energy: -71.426358
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -11.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -171.045732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.045732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.045732 (E_RNA)
where:
Base-Base interactions energy: -106.539
where: short stacking energy: -53.128
Base-Backbone interact. energy: 0.424
local terms energy: -64.930585
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: -9.939
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: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -156.792847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.792847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.792847 (E_RNA)
where:
Base-Base interactions energy: -101.000
where: short stacking energy: -46.703
Base-Backbone interact. energy: 1.008
local terms energy: -56.801461
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -7.910
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -7.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -116.228733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.228733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.228733 (E_RNA)
where:
Base-Base interactions energy: -45.777
where: short stacking energy: -40.688
Base-Backbone interact. energy: -0.281
local terms energy: -70.170638
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -7.750
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: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -353.962310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.962310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.962310 (E_RNA)
where:
Base-Base interactions energy: -247.221
where: short stacking energy: -99.936
Base-Backbone interact. energy: -0.651
local terms energy: -106.090940
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -27.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -344.335404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.335404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.335404 (E_RNA)
where:
Base-Base interactions energy: -241.823
where: short stacking energy: -99.093
Base-Backbone interact. energy: -0.921
local terms energy: -101.591679
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -23.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -347.680225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.680225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.680225 (E_RNA)
where:
Base-Base interactions energy: -251.529
where: short stacking energy: -104.195
Base-Backbone interact. energy: -0.029
local terms energy: -96.122119
where:
bonds (distance) C4'-P energy: -18.095
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -23.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -315.109892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.109892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.109892 (E_RNA)
where:
Base-Base interactions energy: -223.667
where: short stacking energy: -83.876
Base-Backbone interact. energy: -0.230
local terms energy: -91.212896
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -18.029
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: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -285.282659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.282659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.282659 (E_RNA)
where:
Base-Base interactions energy: -189.915
where: short stacking energy: -84.887
Base-Backbone interact. energy: -0.193
local terms energy: -95.174826
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -23.299
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: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -234.783217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.783217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.783217 (E_RNA)
where:
Base-Base interactions energy: -161.376
where: short stacking energy: -76.536
Base-Backbone interact. energy: 1.922
local terms energy: -75.329537
where:
bonds (distance) C4'-P energy: -10.461
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -13.478
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: 179
Temperature: 1.200000
Total energy: -223.332020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.332020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.332020 (E_RNA)
where:
Base-Base interactions energy: -146.101
where: short stacking energy: -56.104
Base-Backbone interact. energy: -0.139
local terms energy: -77.091616
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -14.641
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: 8, replica: 6
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -174.216981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.216981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.216981 (E_RNA)
where:
Base-Base interactions energy: -108.098
where: short stacking energy: -55.404
Base-Backbone interact. energy: 0.003
local terms energy: -66.121359
where:
bonds (distance) C4'-P energy: -23.159
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -2.567
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -184.565937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.565937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.565937 (E_RNA)
where:
Base-Base interactions energy: -107.039
where: short stacking energy: -63.113
Base-Backbone interact. energy: -1.048
local terms energy: -76.479148
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -14.416
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: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -98.243272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.243272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.243272 (E_RNA)
where:
Base-Base interactions energy: -45.163
where: short stacking energy: -34.851
Base-Backbone interact. energy: -0.409
local terms energy: -52.671004
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: 2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -353.221652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.221652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.221652 (E_RNA)
where:
Base-Base interactions energy: -251.041
where: short stacking energy: -97.566
Base-Backbone interact. energy: -0.043
local terms energy: -102.138229
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -14.551
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: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -356.032031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.032031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.032031 (E_RNA)
where:
Base-Base interactions energy: -249.878
where: short stacking energy: -103.325
Base-Backbone interact. energy: -1.596
local terms energy: -104.558527
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -28.266
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: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -338.308990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.308990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.308990 (E_RNA)
where:
Base-Base interactions energy: -237.771
where: short stacking energy: -89.783
Base-Backbone interact. energy: -0.186
local terms energy: -100.352414
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -24.610
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: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -323.088239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.088239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.088239 (E_RNA)
where:
Base-Base interactions energy: -228.604
where: short stacking energy: -90.923
Base-Backbone interact. energy: -0.112
local terms energy: -94.371495
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -15.577
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: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -294.884827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.884827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.884827 (E_RNA)
where:
Base-Base interactions energy: -196.093
where: short stacking energy: -83.728
Base-Backbone interact. energy: -0.112
local terms energy: -98.680358
where:
bonds (distance) C4'-P energy: -19.480
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -24.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -228.711407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.711407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.711407 (E_RNA)
where:
Base-Base interactions energy: -146.829
where: short stacking energy: -61.063
Base-Backbone interact. energy: -0.121
local terms energy: -81.761374
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -11.398
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: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -223.722180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.722180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.722180 (E_RNA)
where:
Base-Base interactions energy: -142.698
where: short stacking energy: -68.177
Base-Backbone interact. energy: -0.823
local terms energy: -80.201185
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -9.880
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: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -190.704386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.704386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.704386 (E_RNA)
where:
Base-Base interactions energy: -109.392
where: short stacking energy: -64.254
Base-Backbone interact. energy: -0.614
local terms energy: -80.698604
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -12.766
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: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -111.827279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.827279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.827279 (E_RNA)
where:
Base-Base interactions energy: -45.675
where: short stacking energy: -46.175
Base-Backbone interact. energy: -0.026
local terms energy: -66.126183
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: 0.778
tors. eta vs tors. theta energy: -5.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -148.811096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.811096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.811096 (E_RNA)
where:
Base-Base interactions energy: -83.261
where: short stacking energy: -46.634
Base-Backbone interact. energy: -0.643
local terms energy: -64.906870
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -7.483
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: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -354.721203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.721203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.721203 (E_RNA)
where:
Base-Base interactions energy: -249.503
where: short stacking energy: -98.801
Base-Backbone interact. energy: -1.164
local terms energy: -104.054722
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -345.973123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.973123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.973123 (E_RNA)
where:
Base-Base interactions energy: -244.393
where: short stacking energy: -98.255
Base-Backbone interact. energy: -0.085
local terms energy: -101.495618
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -28.051
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: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -339.431239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.431239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.431239 (E_RNA)
where:
Base-Base interactions energy: -233.188
where: short stacking energy: -95.076
Base-Backbone interact. energy: -2.584
local terms energy: -103.658940
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -29.359
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: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -304.880557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.880557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.880557 (E_RNA)
where:
Base-Base interactions energy: -217.553
where: short stacking energy: -102.566
Base-Backbone interact. energy: -0.002
local terms energy: -87.325374
where:
bonds (distance) C4'-P energy: -6.144
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -16.689
tors. eta vs tors. theta energy: -25.284
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: 181
Temperature: 1.100000
Total energy: -315.280336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.280336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.280336 (E_RNA)
where:
Base-Base interactions energy: -214.961
where: short stacking energy: -99.545
Base-Backbone interact. energy: -0.012
local terms energy: -100.307315
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -21.463
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -22.514
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: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -229.662261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.662261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.662261 (E_RNA)
where:
Base-Base interactions energy: -148.551
where: short stacking energy: -76.207
Base-Backbone interact. energy: -0.227
local terms energy: -80.883825
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -251.247615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.247615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.247615 (E_RNA)
where:
Base-Base interactions energy: -167.090
where: short stacking energy: -74.851
Base-Backbone interact. energy: -0.048
local terms energy: -84.109395
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -14.112
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: 8, replica: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -143.047345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.047345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.047345 (E_RNA)
where:
Base-Base interactions energy: -68.470
where: short stacking energy: -42.553
Base-Backbone interact. energy: -2.089
local terms energy: -72.489026
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -20.727
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -3.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -175.568104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.568104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.568104 (E_RNA)
where:
Base-Base interactions energy: -107.389
where: short stacking energy: -49.226
Base-Backbone interact. energy: -0.111
local terms energy: -68.068391
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -12.111
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: 181
Temperature: 1.350000
Total energy: -160.105302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.105302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.105302 (E_RNA)
where:
Base-Base interactions energy: -90.261
where: short stacking energy: -45.252
Base-Backbone interact. energy: -0.111
local terms energy: -69.733182
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -11.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -349.017301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.017301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.017301 (E_RNA)
where:
Base-Base interactions energy: -251.844
where: short stacking energy: -99.029
Base-Backbone interact. energy: -0.228
local terms energy: -96.945380
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -25.660
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: 182
Temperature: 0.950000
Total energy: -339.317851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.317851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.317851 (E_RNA)
where:
Base-Base interactions energy: -237.079
where: short stacking energy: -92.807
Base-Backbone interact. energy: -0.001
local terms energy: -102.237841
where:
bonds (distance) C4'-P energy: -20.020
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -25.671
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: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -340.266223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.266223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.266223 (E_RNA)
where:
Base-Base interactions energy: -242.887
where: short stacking energy: -98.401
Base-Backbone interact. energy: 0.708
local terms energy: -98.086916
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -25.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -310.532278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.532278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.532278 (E_RNA)
where:
Base-Base interactions energy: -212.033
where: short stacking energy: -82.132
Base-Backbone interact. energy: -0.015
local terms energy: -98.484255
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -14.265
tors. eta vs tors. theta energy: -21.340
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: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -313.133688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.133688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.133688 (E_RNA)
where:
Base-Base interactions energy: -218.729
where: short stacking energy: -91.425
Base-Backbone interact. energy: 0.388
local terms energy: -94.792613
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -24.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -244.457093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.457093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.457093 (E_RNA)
where:
Base-Base interactions energy: -162.759
where: short stacking energy: -74.582
Base-Backbone interact. energy: -0.140
local terms energy: -81.557460
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -230.871000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.871000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.871000 (E_RNA)
where:
Base-Base interactions energy: -160.458
where: short stacking energy: -63.419
Base-Backbone interact. energy: -0.028
local terms energy: -70.384734
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -14.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -189.484174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.484174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.484174 (E_RNA)
where:
Base-Base interactions energy: -116.612
where: short stacking energy: -53.469
Base-Backbone interact. energy: -0.379
local terms energy: -72.493433
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -10.860
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: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -182.222823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.222823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.222823 (E_RNA)
where:
Base-Base interactions energy: -112.413
where: short stacking energy: -64.341
Base-Backbone interact. energy: -0.376
local terms energy: -69.433941
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -16.340
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: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -193.397294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.397294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.397294 (E_RNA)
where:
Base-Base interactions energy: -127.013
where: short stacking energy: -59.514
Base-Backbone interact. energy: -0.252
local terms energy: -66.132249
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -7.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -356.915060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.915060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.915060 (E_RNA)
where:
Base-Base interactions energy: -258.042
where: short stacking energy: -99.872
Base-Backbone interact. energy: -0.871
local terms energy: -98.001696
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -22.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -350.613022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.613022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.613022 (E_RNA)
where:
Base-Base interactions energy: -245.179
where: short stacking energy: -101.598
Base-Backbone interact. energy: -0.048
local terms energy: -105.386449
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -25.983
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: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -337.121651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.121651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.121651 (E_RNA)
where:
Base-Base interactions energy: -236.474
where: short stacking energy: -100.157
Base-Backbone interact. energy: -0.107
local terms energy: -100.540754
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -29.220
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: 183
Temperature: 1.050000
Total energy: -319.838084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.838084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.838084 (E_RNA)
where:
Base-Base interactions energy: -226.443
where: short stacking energy: -95.674
Base-Backbone interact. energy: -0.001
local terms energy: -93.393852
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -22.809
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -24.831
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: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -300.988271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.988271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.988271 (E_RNA)
where:
Base-Base interactions energy: -202.494
where: short stacking energy: -87.680
Base-Backbone interact. energy: -0.100
local terms energy: -98.394476
where:
bonds (distance) C4'-P energy: -21.024
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -23.741
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -240.398983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.398983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.398983 (E_RNA)
where:
Base-Base interactions energy: -148.236
where: short stacking energy: -82.253
Base-Backbone interact. energy: -0.263
local terms energy: -91.900904
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -24.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -235.454634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.454634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.454634 (E_RNA)
where:
Base-Base interactions energy: -160.227
where: short stacking energy: -67.385
Base-Backbone interact. energy: -1.105
local terms energy: -74.122324
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -10.411
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: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -181.988103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.988103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.988103 (E_RNA)
where:
Base-Base interactions energy: -114.752
where: short stacking energy: -63.895
Base-Backbone interact. energy: -0.146
local terms energy: -67.090070
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -15.475
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: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -181.749072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.749072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.749072 (E_RNA)
where:
Base-Base interactions energy: -116.968
where: short stacking energy: -52.781
Base-Backbone interact. energy: -0.265
local terms energy: -64.515644
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -12.968
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: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -184.002138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.002138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.002138 (E_RNA)
where:
Base-Base interactions energy: -105.573
where: short stacking energy: -46.187
Base-Backbone interact. energy: -1.261
local terms energy: -77.168267
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -14.025
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: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -352.966932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.966932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.966932 (E_RNA)
where:
Base-Base interactions energy: -247.269
where: short stacking energy: -104.061
Base-Backbone interact. energy: -0.027
local terms energy: -105.671676
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -26.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -355.484750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.484750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.484750 (E_RNA)
where:
Base-Base interactions energy: -269.043
where: short stacking energy: -103.205
Base-Backbone interact. energy: -0.367
local terms energy: -86.074691
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -19.597
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -22.633
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: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -326.918762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.918762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.918762 (E_RNA)
where:
Base-Base interactions energy: -226.832
where: short stacking energy: -99.319
Base-Backbone interact. energy: 0.094
local terms energy: -100.180272
where:
bonds (distance) C4'-P energy: -22.294
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -25.687
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: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -348.764564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.764564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.764564 (E_RNA)
where:
Base-Base interactions energy: -249.739
where: short stacking energy: -105.500
Base-Backbone interact. energy: -0.015
local terms energy: -99.010295
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -29.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -294.623253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.623253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.623253 (E_RNA)
where:
Base-Base interactions energy: -207.877
where: short stacking energy: -82.085
Base-Backbone interact. energy: -0.244
local terms energy: -86.502046
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -237.555318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.555318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.555318 (E_RNA)
where:
Base-Base interactions energy: -152.782
where: short stacking energy: -78.602
Base-Backbone interact. energy: -0.135
local terms energy: -84.638908
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -245.775313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.775313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.775313 (E_RNA)
where:
Base-Base interactions energy: -162.045
where: short stacking energy: -65.113
Base-Backbone interact. energy: -0.197
local terms energy: -83.533982
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -10.432
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: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -183.443825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.443825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.443825 (E_RNA)
where:
Base-Base interactions energy: -117.066
where: short stacking energy: -63.213
Base-Backbone interact. energy: -0.220
local terms energy: -66.157799
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -13.774
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: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -199.055421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.055421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.055421 (E_RNA)
where:
Base-Base interactions energy: -132.083
where: short stacking energy: -53.547
Base-Backbone interact. energy: -0.747
local terms energy: -66.225725
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -5.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -147.500024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.500024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.500024 (E_RNA)
where:
Base-Base interactions energy: -73.409
where: short stacking energy: -37.883
Base-Backbone interact. energy: -1.350
local terms energy: -72.740911
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -354.552742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.552742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.552742 (E_RNA)
where:
Base-Base interactions energy: -240.668
where: short stacking energy: -96.842
Base-Backbone interact. energy: -0.095
local terms energy: -113.790206
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -25.555
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -29.142
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: 185
Temperature: 0.950000
Total energy: -350.349122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.349122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.349122 (E_RNA)
where:
Base-Base interactions energy: -246.838
where: short stacking energy: -96.078
Base-Backbone interact. energy: -0.547
local terms energy: -102.964143
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -322.276989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.276989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.276989 (E_RNA)
where:
Base-Base interactions energy: -220.632
where: short stacking energy: -96.053
Base-Backbone interact. energy: -0.010
local terms energy: -101.634565
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -27.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -338.774470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.774470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.774470 (E_RNA)
where:
Base-Base interactions energy: -240.181
where: short stacking energy: -93.773
Base-Backbone interact. energy: -0.180
local terms energy: -98.413528
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -23.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -293.782002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.782002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.782002 (E_RNA)
where:
Base-Base interactions energy: -202.882
where: short stacking energy: -82.911
Base-Backbone interact. energy: -0.105
local terms energy: -90.795130
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -27.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -244.764658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.764658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.764658 (E_RNA)
where:
Base-Base interactions energy: -155.530
where: short stacking energy: -70.396
Base-Backbone interact. energy: -0.981
local terms energy: -88.253683
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -19.407
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -235.596763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.596763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.596763 (E_RNA)
where:
Base-Base interactions energy: -158.137
where: short stacking energy: -76.533
Base-Backbone interact. energy: -0.714
local terms energy: -76.745522
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -20.164
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: 185
Temperature: 1.250000
Total energy: -194.560148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.560148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.560148 (E_RNA)
where:
Base-Base interactions energy: -114.805
where: short stacking energy: -65.745
Base-Backbone interact. energy: -0.624
local terms energy: -79.131116
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -9.315
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: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -171.848475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.848475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.848475 (E_RNA)
where:
Base-Base interactions energy: -103.441
where: short stacking energy: -50.859
Base-Backbone interact. energy: 0.461
local terms energy: -68.868559
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -8.611
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: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -130.597536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.597536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.597536 (E_RNA)
where:
Base-Base interactions energy: -61.917
where: short stacking energy: -34.435
Base-Backbone interact. energy: -0.156
local terms energy: -68.524171
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -10.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -354.799407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.799407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.799407 (E_RNA)
where:
Base-Base interactions energy: -243.630
where: short stacking energy: -105.063
Base-Backbone interact. energy: -1.664
local terms energy: -109.505275
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -30.391
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: 186
Temperature: 0.950000
Total energy: -347.204971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.204971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.204971 (E_RNA)
where:
Base-Base interactions energy: -248.539
where: short stacking energy: -96.327
Base-Backbone interact. energy: -0.135
local terms energy: -98.530342
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -24.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -347.108358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.108358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.108358 (E_RNA)
where:
Base-Base interactions energy: -246.585
where: short stacking energy: -92.208
Base-Backbone interact. energy: -0.093
local terms energy: -100.430685
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -25.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -313.118708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.118708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.118708 (E_RNA)
where:
Base-Base interactions energy: -226.931
where: short stacking energy: -91.313
Base-Backbone interact. energy: -0.030
local terms energy: -86.157556
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -23.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -302.699032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.699032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.699032 (E_RNA)
where:
Base-Base interactions energy: -214.543
where: short stacking energy: -80.502
Base-Backbone interact. energy: 2.820
local terms energy: -90.976711
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -246.472169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.472169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.472169 (E_RNA)
where:
Base-Base interactions energy: -166.781
where: short stacking energy: -63.178
Base-Backbone interact. energy: -0.144
local terms energy: -79.547389
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -14.772
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: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -235.635517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.635517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.635517 (E_RNA)
where:
Base-Base interactions energy: -152.983
where: short stacking energy: -75.433
Base-Backbone interact. energy: -0.354
local terms energy: -82.298268
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -10.243
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: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -171.165497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.165497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.165497 (E_RNA)
where:
Base-Base interactions energy: -103.093
where: short stacking energy: -43.843
Base-Backbone interact. energy: -0.497
local terms energy: -67.574603
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -153.224158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.224158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.224158 (E_RNA)
where:
Base-Base interactions energy: -83.419
where: short stacking energy: -48.397
Base-Backbone interact. energy: -0.996
local terms energy: -68.809490
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -146.650438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.650438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.650438 (E_RNA)
where:
Base-Base interactions energy: -88.454
where: short stacking energy: -35.571
Base-Backbone interact. energy: 3.456
local terms energy: -61.652282
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -9.459
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: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -351.025354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.025354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.025354 (E_RNA)
where:
Base-Base interactions energy: -241.913
where: short stacking energy: -104.289
Base-Backbone interact. energy: -0.039
local terms energy: -109.073173
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -21.573
flat angles C4'-P-C4' energy: -22.664
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -28.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -347.963779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.963779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.963779 (E_RNA)
where:
Base-Base interactions energy: -247.868
where: short stacking energy: -89.917
Base-Backbone interact. energy: -0.191
local terms energy: -99.904317
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -19.012
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -345.157322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.157322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.157322 (E_RNA)
where:
Base-Base interactions energy: -239.677
where: short stacking energy: -101.666
Base-Backbone interact. energy: -1.228
local terms energy: -104.251925
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -25.182
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: 187
Temperature: 1.050000
Total energy: -321.379227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.379227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.379227 (E_RNA)
where:
Base-Base interactions energy: -228.465
where: short stacking energy: -95.699
Base-Backbone interact. energy: -0.460
local terms energy: -92.454638
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -28.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -304.150458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.150458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.150458 (E_RNA)
where:
Base-Base interactions energy: -210.865
where: short stacking energy: -83.775
Base-Backbone interact. energy: -0.466
local terms energy: -92.819887
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -23.122
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -245.845907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.845907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.845907 (E_RNA)
where:
Base-Base interactions energy: -162.246
where: short stacking energy: -69.453
Base-Backbone interact. energy: -0.065
local terms energy: -83.535077
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -14.142
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: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -236.912107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.912107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.912107 (E_RNA)
where:
Base-Base interactions energy: -175.265
where: short stacking energy: -62.482
Base-Backbone interact. energy: -1.134
local terms energy: -60.513050
where:
bonds (distance) C4'-P energy: -8.880
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -9.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -208.010669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.010669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.010669 (E_RNA)
where:
Base-Base interactions energy: -125.727
where: short stacking energy: -72.566
Base-Backbone interact. energy: -0.200
local terms energy: -82.084354
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -184.098554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.098554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.098554 (E_RNA)
where:
Base-Base interactions energy: -115.530
where: short stacking energy: -53.493
Base-Backbone interact. energy: -0.079
local terms energy: -68.489019
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -15.050
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -112.955430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.955430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.955430 (E_RNA)
where:
Base-Base interactions energy: -68.048
where: short stacking energy: -32.152
Base-Backbone interact. energy: -0.635
local terms energy: -44.272561
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: 3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -358.103297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.103297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.103297 (E_RNA)
where:
Base-Base interactions energy: -258.893
where: short stacking energy: -101.474
Base-Backbone interact. energy: 0.006
local terms energy: -99.216304
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -21.323
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -23.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -347.791556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.791556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.791556 (E_RNA)
where:
Base-Base interactions energy: -238.889
where: short stacking energy: -104.998
Base-Backbone interact. energy: -0.009
local terms energy: -108.893622
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -16.550
tors. eta vs tors. theta energy: -28.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -357.115675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.115675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.115675 (E_RNA)
where:
Base-Base interactions energy: -268.397
where: short stacking energy: -96.150
Base-Backbone interact. energy: -0.601
local terms energy: -88.118250
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -20.315
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: 2
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -320.128800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.128800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.128800 (E_RNA)
where:
Base-Base interactions energy: -220.484
where: short stacking energy: -94.356
Base-Backbone interact. energy: -0.146
local terms energy: -99.498523
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -26.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -296.436033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.436033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.436033 (E_RNA)
where:
Base-Base interactions energy: -207.782
where: short stacking energy: -82.414
Base-Backbone interact. energy: -0.310
local terms energy: -88.344114
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -22.585
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: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -244.305286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.305286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.305286 (E_RNA)
where:
Base-Base interactions energy: -151.872
where: short stacking energy: -78.066
Base-Backbone interact. energy: -0.094
local terms energy: -92.339115
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -21.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -245.629085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.629085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.629085 (E_RNA)
where:
Base-Base interactions energy: -156.558
where: short stacking energy: -73.432
Base-Backbone interact. energy: -0.699
local terms energy: -88.371304
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -17.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -178.815080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.815080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.815080 (E_RNA)
where:
Base-Base interactions energy: -95.185
where: short stacking energy: -64.953
Base-Backbone interact. energy: -0.184
local terms energy: -83.446041
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -110.657411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.657411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.657411 (E_RNA)
where:
Base-Base interactions energy: -53.134
where: short stacking energy: -25.979
Base-Backbone interact. energy: -0.313
local terms energy: -57.211220
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: 1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -152.022715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.022715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.022715 (E_RNA)
where:
Base-Base interactions energy: -75.182
where: short stacking energy: -47.184
Base-Backbone interact. energy: -0.127
local terms energy: -76.713418
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -352.186857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.186857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.186857 (E_RNA)
where:
Base-Base interactions energy: -253.418
where: short stacking energy: -98.457
Base-Backbone interact. energy: -0.114
local terms energy: -98.654589
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -24.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -352.260943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.260943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.260943 (E_RNA)
where:
Base-Base interactions energy: -251.139
where: short stacking energy: -92.985
Base-Backbone interact. energy: -0.277
local terms energy: -100.844800
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -334.980521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.980521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.980521 (E_RNA)
where:
Base-Base interactions energy: -239.795
where: short stacking energy: -91.931
Base-Backbone interact. energy: -0.134
local terms energy: -95.051033
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -25.992
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: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -319.467136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.467136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.467136 (E_RNA)
where:
Base-Base interactions energy: -216.878
where: short stacking energy: -89.101
Base-Backbone interact. energy: -0.601
local terms energy: -101.987939
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -23.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -305.649909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.649909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.649909 (E_RNA)
where:
Base-Base interactions energy: -204.121
where: short stacking energy: -93.471
Base-Backbone interact. energy: -0.160
local terms energy: -101.368760
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -26.465
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: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -235.504379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.504379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.504379 (E_RNA)
where:
Base-Base interactions energy: -164.444
where: short stacking energy: -70.127
Base-Backbone interact. energy: 0.373
local terms energy: -71.433486
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -11.883
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: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -223.361685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.361685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.361685 (E_RNA)
where:
Base-Base interactions energy: -136.056
where: short stacking energy: -66.998
Base-Backbone interact. energy: 1.749
local terms energy: -89.054828
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -131.603590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.603590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.603590 (E_RNA)
where:
Base-Base interactions energy: -65.163
where: short stacking energy: -62.703
Base-Backbone interact. energy: -0.204
local terms energy: -66.236074
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -12.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -115.451356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.451356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.451356 (E_RNA)
where:
Base-Base interactions energy: -53.590
where: short stacking energy: -39.332
Base-Backbone interact. energy: 0.741
local terms energy: -62.602222
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -0.876
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: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -94.603633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.603633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.603633 (E_RNA)
where:
Base-Base interactions energy: -35.809
where: short stacking energy: -31.007
Base-Backbone interact. energy: -0.296
local terms energy: -58.498634
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: 1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -356.155531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.155531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.155531 (E_RNA)
where:
Base-Base interactions energy: -258.865
where: short stacking energy: -88.315
Base-Backbone interact. energy: -0.587
local terms energy: -96.703099
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -351.798481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.798481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.798481 (E_RNA)
where:
Base-Base interactions energy: -248.193
where: short stacking energy: -95.795
Base-Backbone interact. energy: -0.259
local terms energy: -103.346485
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -22.266
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: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -348.209319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.209319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.209319 (E_RNA)
where:
Base-Base interactions energy: -249.257
where: short stacking energy: -98.593
Base-Backbone interact. energy: -0.035
local terms energy: -98.917703
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -26.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -307.369234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.369234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.369234 (E_RNA)
where:
Base-Base interactions energy: -211.878
where: short stacking energy: -91.007
Base-Backbone interact. energy: -0.860
local terms energy: -94.630764
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -22.524
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: 190
Temperature: 1.100000
Total energy: -303.114098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.114098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.114098 (E_RNA)
where:
Base-Base interactions energy: -206.601
where: short stacking energy: -88.722
Base-Backbone interact. energy: -0.105
local terms energy: -96.407750
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -24.737
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: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -240.996503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.996503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.996503 (E_RNA)
where:
Base-Base interactions energy: -159.402
where: short stacking energy: -80.570
Base-Backbone interact. energy: -0.402
local terms energy: -81.192755
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -11.384
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: 7, replica: 9
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -226.970028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.970028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.970028 (E_RNA)
where:
Base-Base interactions energy: -141.612
where: short stacking energy: -70.322
Base-Backbone interact. energy: -0.357
local terms energy: -85.001314
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -10.055
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: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -118.408691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.408691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.408691 (E_RNA)
where:
Base-Base interactions energy: -56.164
where: short stacking energy: -47.225
Base-Backbone interact. energy: -0.355
local terms energy: -61.889429
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -102.905895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.905895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.905895 (E_RNA)
where:
Base-Base interactions energy: -45.263
where: short stacking energy: -42.624
Base-Backbone interact. energy: 0.902
local terms energy: -58.545027
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -12.513
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: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -100.515282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.515282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.515282 (E_RNA)
where:
Base-Base interactions energy: -49.224
where: short stacking energy: -22.975
Base-Backbone interact. energy: -0.379
local terms energy: -50.912520
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -2.544
tors. eta vs tors. theta energy: 7.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -353.425782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.425782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.425782 (E_RNA)
where:
Base-Base interactions energy: -249.879
where: short stacking energy: -93.547
Base-Backbone interact. energy: -0.372
local terms energy: -103.174799
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -25.014
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -24.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -346.393230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.393230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.393230 (E_RNA)
where:
Base-Base interactions energy: -246.129
where: short stacking energy: -94.795
Base-Backbone interact. energy: -0.220
local terms energy: -100.045010
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -21.083
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: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -344.827778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.827778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.827778 (E_RNA)
where:
Base-Base interactions energy: -250.043
where: short stacking energy: -87.762
Base-Backbone interact. energy: 0.514
local terms energy: -95.298118
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -18.191
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -26.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -313.340762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.340762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.340762 (E_RNA)
where:
Base-Base interactions energy: -219.792
where: short stacking energy: -96.989
Base-Backbone interact. energy: -1.077
local terms energy: -92.471419
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -19.191
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -25.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -298.483205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.483205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.483205 (E_RNA)
where:
Base-Base interactions energy: -208.698
where: short stacking energy: -87.378
Base-Backbone interact. energy: 1.056
local terms energy: -90.841428
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -11.554
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: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -242.665621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.665621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.665621 (E_RNA)
where:
Base-Base interactions energy: -157.930
where: short stacking energy: -70.531
Base-Backbone interact. energy: -0.163
local terms energy: -84.572554
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -243.464768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.464768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.464768 (E_RNA)
where:
Base-Base interactions energy: -150.796
where: short stacking energy: -76.742
Base-Backbone interact. energy: -0.893
local terms energy: -91.775544
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -176.278025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.278025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.278025 (E_RNA)
where:
Base-Base interactions energy: -96.077
where: short stacking energy: -51.514
Base-Backbone interact. energy: -0.101
local terms energy: -80.099574
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -10.885
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: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -105.461931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.461931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.461931 (E_RNA)
where:
Base-Base interactions energy: -35.435
where: short stacking energy: -32.270
Base-Backbone interact. energy: -0.472
local terms energy: -69.555728
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -101.048578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.048578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.048578 (E_RNA)
where:
Base-Base interactions energy: -36.164
where: short stacking energy: -33.946
Base-Backbone interact. energy: 0.192
local terms energy: -65.076355
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -9.408
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: 1, replica: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -353.621226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.621226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.621226 (E_RNA)
where:
Base-Base interactions energy: -253.460
where: short stacking energy: -97.603
Base-Backbone interact. energy: -0.366
local terms energy: -99.794867
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -21.005
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -346.029943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.029943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.029943 (E_RNA)
where:
Base-Base interactions energy: -251.707
where: short stacking energy: -96.440
Base-Backbone interact. energy: -0.201
local terms energy: -94.122748
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -21.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -346.169574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.169574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.169574 (E_RNA)
where:
Base-Base interactions energy: -240.060
where: short stacking energy: -92.777
Base-Backbone interact. energy: -0.120
local terms energy: -105.989393
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -22.329
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: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -326.867861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.867861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.867861 (E_RNA)
where:
Base-Base interactions energy: -222.027
where: short stacking energy: -103.206
Base-Backbone interact. energy: -0.085
local terms energy: -104.755653
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -31.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -306.011560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.011560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.011560 (E_RNA)
where:
Base-Base interactions energy: -206.498
where: short stacking energy: -87.014
Base-Backbone interact. energy: 0.307
local terms energy: -99.820668
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -23.062
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: 192
Temperature: 1.150000
Total energy: -238.353312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.353312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.353312 (E_RNA)
where:
Base-Base interactions energy: -155.247
where: short stacking energy: -72.315
Base-Backbone interact. energy: -0.218
local terms energy: -82.888290
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -11.337
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: 192
Temperature: 1.200000
Total energy: -225.520074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.520074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.520074 (E_RNA)
where:
Base-Base interactions energy: -141.543
where: short stacking energy: -78.644
Base-Backbone interact. energy: 0.482
local terms energy: -84.458700
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -16.713
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: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -178.624716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.624716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.624716 (E_RNA)
where:
Base-Base interactions energy: -99.197
where: short stacking energy: -63.022
Base-Backbone interact. energy: -0.022
local terms energy: -79.405503
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -11.646
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: 9, replica: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -122.969965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.969965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.969965 (E_RNA)
where:
Base-Base interactions energy: -48.180
where: short stacking energy: -35.867
Base-Backbone interact. energy: -0.300
local terms energy: -74.489441
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -110.287579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.287579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.287579 (E_RNA)
where:
Base-Base interactions energy: -52.333
where: short stacking energy: -49.212
Base-Backbone interact. energy: 0.764
local terms energy: -58.718708
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -353.252319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.252319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.252319 (E_RNA)
where:
Base-Base interactions energy: -247.232
where: short stacking energy: -91.842
Base-Backbone interact. energy: -0.390
local terms energy: -105.630145
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -23.594
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -18.201
tors. eta vs tors. theta energy: -23.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -347.330224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.330224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.330224 (E_RNA)
where:
Base-Base interactions energy: -251.640
where: short stacking energy: -100.515
Base-Backbone interact. energy: -0.034
local terms energy: -95.656437
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -26.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -344.008908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.008908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.008908 (E_RNA)
where:
Base-Base interactions energy: -247.034
where: short stacking energy: -93.017
Base-Backbone interact. energy: -0.033
local terms energy: -96.941944
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -21.918
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: 193
Temperature: 1.050000
Total energy: -329.966744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.966744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.966744 (E_RNA)
where:
Base-Base interactions energy: -221.542
where: short stacking energy: -105.865
Base-Backbone interact. energy: -0.060
local terms energy: -108.364009
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -23.427
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -32.372
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: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -305.162694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.162694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.162694 (E_RNA)
where:
Base-Base interactions energy: -220.015
where: short stacking energy: -89.278
Base-Backbone interact. energy: -0.166
local terms energy: -84.982122
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -248.153553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.153553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.153553 (E_RNA)
where:
Base-Base interactions energy: -150.217
where: short stacking energy: -67.795
Base-Backbone interact. energy: -0.457
local terms energy: -97.479504
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -20.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -239.406603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.406603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.406603 (E_RNA)
where:
Base-Base interactions energy: -152.971
where: short stacking energy: -79.074
Base-Backbone interact. energy: -0.179
local terms energy: -86.257183
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -21.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -131.881035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.881035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.881035 (E_RNA)
where:
Base-Base interactions energy: -62.218
where: short stacking energy: -44.099
Base-Backbone interact. energy: -0.104
local terms energy: -69.558901
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -9.816
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: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -169.313198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.313198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.313198 (E_RNA)
where:
Base-Base interactions energy: -86.293
where: short stacking energy: -45.629
Base-Backbone interact. energy: -0.349
local terms energy: -82.670845
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -11.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -98.726584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.726584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.726584 (E_RNA)
where:
Base-Base interactions energy: -44.691
where: short stacking energy: -26.925
Base-Backbone interact. energy: -0.338
local terms energy: -53.697547
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -354.932437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.932437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.932437 (E_RNA)
where:
Base-Base interactions energy: -243.802
where: short stacking energy: -105.086
Base-Backbone interact. energy: -1.056
local terms energy: -110.075037
where:
bonds (distance) C4'-P energy: -21.751
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -25.823
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: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -351.310340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.310340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.310340 (E_RNA)
where:
Base-Base interactions energy: -246.618
where: short stacking energy: -91.242
Base-Backbone interact. energy: -0.188
local terms energy: -104.505043
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -24.429
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: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -345.780923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.780923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.780923 (E_RNA)
where:
Base-Base interactions energy: -242.641
where: short stacking energy: -90.907
Base-Backbone interact. energy: -0.199
local terms energy: -102.940759
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -15.851
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: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -319.450457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.450457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.450457 (E_RNA)
where:
Base-Base interactions energy: -216.742
where: short stacking energy: -103.714
Base-Backbone interact. energy: -0.022
local terms energy: -102.686220
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -26.737
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: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -301.397350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.397350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.397350 (E_RNA)
where:
Base-Base interactions energy: -215.686
where: short stacking energy: -88.737
Base-Backbone interact. energy: -0.129
local terms energy: -85.582706
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -21.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -242.598688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.598688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.598688 (E_RNA)
where:
Base-Base interactions energy: -153.285
where: short stacking energy: -73.219
Base-Backbone interact. energy: -0.465
local terms energy: -88.849404
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -8.283
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: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -250.510718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.510718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.510718 (E_RNA)
where:
Base-Base interactions energy: -161.989
where: short stacking energy: -82.551
Base-Backbone interact. energy: -0.154
local terms energy: -88.368377
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -23.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -155.441769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.441769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.441769 (E_RNA)
where:
Base-Base interactions energy: -91.723
where: short stacking energy: -48.379
Base-Backbone interact. energy: 2.409
local terms energy: -66.127540
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -164.230559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.230559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.230559 (E_RNA)
where:
Base-Base interactions energy: -87.693
where: short stacking energy: -43.051
Base-Backbone interact. energy: 0.742
local terms energy: -77.279606
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -8.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -102.477937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.477937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.477937 (E_RNA)
where:
Base-Base interactions energy: -36.732
where: short stacking energy: -36.608
Base-Backbone interact. energy: -0.688
local terms energy: -65.058232
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -2.135
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -348.539666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.539666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.539666 (E_RNA)
where:
Base-Base interactions energy: -241.183
where: short stacking energy: -99.679
Base-Backbone interact. energy: -1.427
local terms energy: -105.929640
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -28.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -339.016231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.016231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.016231 (E_RNA)
where:
Base-Base interactions energy: -243.197
where: short stacking energy: -85.409
Base-Backbone interact. energy: -0.495
local terms energy: -95.324645
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -351.895312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.895312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.895312 (E_RNA)
where:
Base-Base interactions energy: -257.955
where: short stacking energy: -98.114
Base-Backbone interact. energy: -0.745
local terms energy: -93.196159
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -22.584
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -324.803636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.803636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.803636 (E_RNA)
where:
Base-Base interactions energy: -221.628
where: short stacking energy: -105.325
Base-Backbone interact. energy: -0.697
local terms energy: -102.479130
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -27.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -308.193695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.193695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.193695 (E_RNA)
where:
Base-Base interactions energy: -214.546
where: short stacking energy: -89.786
Base-Backbone interact. energy: -0.104
local terms energy: -93.543311
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -22.296
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: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -243.195587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.195587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.195587 (E_RNA)
where:
Base-Base interactions energy: -166.383
where: short stacking energy: -69.641
Base-Backbone interact. energy: -0.459
local terms energy: -76.353879
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -12.545
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: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -237.155704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.155704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.155704 (E_RNA)
where:
Base-Base interactions energy: -146.318
where: short stacking energy: -76.249
Base-Backbone interact. energy: 0.221
local terms energy: -91.059368
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -21.874
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: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -170.005737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.005737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.005737 (E_RNA)
where:
Base-Base interactions energy: -97.329
where: short stacking energy: -54.972
Base-Backbone interact. energy: -0.149
local terms energy: -72.528207
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -148.524345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.524345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.524345 (E_RNA)
where:
Base-Base interactions energy: -89.750
where: short stacking energy: -50.797
Base-Backbone interact. energy: -0.103
local terms energy: -58.671507
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -105.411715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.411715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.411715 (E_RNA)
where:
Base-Base interactions energy: -39.400
where: short stacking energy: -37.326
Base-Backbone interact. energy: -0.127
local terms energy: -65.884656
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -354.504515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.504515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.504515 (E_RNA)
where:
Base-Base interactions energy: -250.838
where: short stacking energy: -93.462
Base-Backbone interact. energy: -0.190
local terms energy: -103.476843
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -346.089552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.089552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.089552 (E_RNA)
where:
Base-Base interactions energy: -241.316
where: short stacking energy: -101.215
Base-Backbone interact. energy: -0.002
local terms energy: -104.771101
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -28.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -349.123059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.123059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.123059 (E_RNA)
where:
Base-Base interactions energy: -248.951
where: short stacking energy: -96.454
Base-Backbone interact. energy: -0.042
local terms energy: -100.129981
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -22.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -320.544325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.544325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.544325 (E_RNA)
where:
Base-Base interactions energy: -222.042
where: short stacking energy: -93.623
Base-Backbone interact. energy: -0.721
local terms energy: -97.781417
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -22.652
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -23.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -302.292387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.292387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.292387 (E_RNA)
where:
Base-Base interactions energy: -215.780
where: short stacking energy: -88.691
Base-Backbone interact. energy: -0.096
local terms energy: -86.416771
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -250.971558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.971558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.971558 (E_RNA)
where:
Base-Base interactions energy: -168.498
where: short stacking energy: -70.769
Base-Backbone interact. energy: -0.307
local terms energy: -82.166206
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -24.385
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -243.996308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.996308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.996308 (E_RNA)
where:
Base-Base interactions energy: -154.478
where: short stacking energy: -76.435
Base-Backbone interact. energy: 0.132
local terms energy: -89.650073
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -8.640
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: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -173.210280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.210280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.210280 (E_RNA)
where:
Base-Base interactions energy: -103.128
where: short stacking energy: -57.949
Base-Backbone interact. energy: -0.016
local terms energy: -70.066435
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -7.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -109.402612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.402612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.402612 (E_RNA)
where:
Base-Base interactions energy: -42.175
where: short stacking energy: -25.277
Base-Backbone interact. energy: -0.272
local terms energy: -66.955405
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: 0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -113.421161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.421161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.421161 (E_RNA)
where:
Base-Base interactions energy: -54.709
where: short stacking energy: -53.383
Base-Backbone interact. energy: -0.102
local terms energy: -58.609532
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -6.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -351.776418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.776418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.776418 (E_RNA)
where:
Base-Base interactions energy: -249.403
where: short stacking energy: -92.059
Base-Backbone interact. energy: -0.314
local terms energy: -102.059869
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -22.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -351.822770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.822770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.822770 (E_RNA)
where:
Base-Base interactions energy: -246.442
where: short stacking energy: -91.408
Base-Backbone interact. energy: -0.283
local terms energy: -105.098047
where:
bonds (distance) C4'-P energy: -22.352
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: -26.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -343.441360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.441360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.441360 (E_RNA)
where:
Base-Base interactions energy: -240.362
where: short stacking energy: -102.530
Base-Backbone interact. energy: -0.408
local terms energy: -102.671382
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -29.947
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: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -311.313743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.313743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.313743 (E_RNA)
where:
Base-Base interactions energy: -209.368
where: short stacking energy: -91.855
Base-Backbone interact. energy: 0.756
local terms energy: -102.701742
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -16.773
tors. eta vs tors. theta energy: -26.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -303.126356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.126356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.126356 (E_RNA)
where:
Base-Base interactions energy: -218.909
where: short stacking energy: -93.049
Base-Backbone interact. energy: -0.196
local terms energy: -84.021016
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -10.709
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -17.144
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: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -243.930870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.930870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.930870 (E_RNA)
where:
Base-Base interactions energy: -152.472
where: short stacking energy: -78.940
Base-Backbone interact. energy: -0.804
local terms energy: -90.654708
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -24.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -241.236203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.236203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.236203 (E_RNA)
where:
Base-Base interactions energy: -155.147
where: short stacking energy: -62.306
Base-Backbone interact. energy: 0.099
local terms energy: -86.189017
where:
bonds (distance) C4'-P energy: -22.203
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -10.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -173.766145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.766145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.766145 (E_RNA)
where:
Base-Base interactions energy: -98.529
where: short stacking energy: -62.950
Base-Backbone interact. energy: -0.425
local terms energy: -74.812241
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -110.082139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.082139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.082139 (E_RNA)
where:
Base-Base interactions energy: -41.826
where: short stacking energy: -39.153
Base-Backbone interact. energy: -0.060
local terms energy: -68.196072
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -106.121290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.121290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.121290 (E_RNA)
where:
Base-Base interactions energy: -56.440
where: short stacking energy: -35.918
Base-Backbone interact. energy: 1.078
local terms energy: -50.759157
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: 1.507
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: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -367.287696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.287696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.287696 (E_RNA)
where:
Base-Base interactions energy: -257.018
where: short stacking energy: -98.872
Base-Backbone interact. energy: -0.070
local terms energy: -110.199936
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -17.625
tors. eta vs tors. theta energy: -27.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -353.657247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.657247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.657247 (E_RNA)
where:
Base-Base interactions energy: -251.936
where: short stacking energy: -96.419
Base-Backbone interact. energy: -0.173
local terms energy: -101.548516
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -24.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -318.486517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.486517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.486517 (E_RNA)
where:
Base-Base interactions energy: -213.004
where: short stacking energy: -100.364
Base-Backbone interact. energy: -0.198
local terms energy: -105.284516
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -29.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -338.819642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.819642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.819642 (E_RNA)
where:
Base-Base interactions energy: -233.625
where: short stacking energy: -102.292
Base-Backbone interact. energy: -0.008
local terms energy: -105.186484
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: -28.460
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: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -300.906211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.906211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.906211 (E_RNA)
where:
Base-Base interactions energy: -205.017
where: short stacking energy: -80.901
Base-Backbone interact. energy: -0.623
local terms energy: -95.265694
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -15.445
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: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -247.603063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.603063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.603063 (E_RNA)
where:
Base-Base interactions energy: -157.919
where: short stacking energy: -86.090
Base-Backbone interact. energy: 0.276
local terms energy: -89.959620
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -21.709
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: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -234.590767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.590767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.590767 (E_RNA)
where:
Base-Base interactions energy: -148.373
where: short stacking energy: -59.131
Base-Backbone interact. energy: -1.551
local terms energy: -84.666916
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -12.144
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: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -186.344429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.344429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.344429 (E_RNA)
where:
Base-Base interactions energy: -121.516
where: short stacking energy: -49.429
Base-Backbone interact. energy: -0.103
local terms energy: -64.725054
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -119.592419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.592419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.592419 (E_RNA)
where:
Base-Base interactions energy: -57.709
where: short stacking energy: -52.596
Base-Backbone interact. energy: -0.043
local terms energy: -61.840855
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -104.981088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.981088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.981088 (E_RNA)
where:
Base-Base interactions energy: -40.985
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.238
local terms energy: -63.758219
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -356.436943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.436943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.436943 (E_RNA)
where:
Base-Base interactions energy: -259.152
where: short stacking energy: -94.691
Base-Backbone interact. energy: -0.251
local terms energy: -97.034804
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -350.024765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.024765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.024765 (E_RNA)
where:
Base-Base interactions energy: -250.794
where: short stacking energy: -91.558
Base-Backbone interact. energy: 0.329
local terms energy: -99.560033
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -21.599
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: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -318.232701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.232701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.232701 (E_RNA)
where:
Base-Base interactions energy: -225.375
where: short stacking energy: -98.403
Base-Backbone interact. energy: -0.800
local terms energy: -92.057236
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -23.730
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: 1
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -324.958870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.958870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.958870 (E_RNA)
where:
Base-Base interactions energy: -233.315
where: short stacking energy: -94.388
Base-Backbone interact. energy: -0.139
local terms energy: -91.503963
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -18.950
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -23.824
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: 199
Temperature: 1.100000
Total energy: -299.433653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.433653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.433653 (E_RNA)
where:
Base-Base interactions energy: -205.205
where: short stacking energy: -91.394
Base-Backbone interact. energy: -0.113
local terms energy: -94.115344
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -24.566
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: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -212.741787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.741787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.741787 (E_RNA)
where:
Base-Base interactions energy: -132.021
where: short stacking energy: -54.324
Base-Backbone interact. energy: -0.583
local terms energy: -80.138418
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -10.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -231.457662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.457662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.457662 (E_RNA)
where:
Base-Base interactions energy: -143.542
where: short stacking energy: -74.911
Base-Backbone interact. energy: -0.164
local terms energy: -87.751676
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -10.248
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: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -177.856181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.856181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.856181 (E_RNA)
where:
Base-Base interactions energy: -97.868
where: short stacking energy: -43.997
Base-Backbone interact. energy: -1.277
local terms energy: -78.711533
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -110.027947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.027947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.027947 (E_RNA)
where:
Base-Base interactions energy: -49.310
where: short stacking energy: -35.423
Base-Backbone interact. energy: 1.982
local terms energy: -62.700328
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -107.477075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.477075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.477075 (E_RNA)
where:
Base-Base interactions energy: -40.005
where: short stacking energy: -36.004
Base-Backbone interact. energy: -0.314
local terms energy: -67.158536
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -346.903623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.903623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.903623 (E_RNA)
where:
Base-Base interactions energy: -260.673
where: short stacking energy: -86.214
Base-Backbone interact. energy: -0.370
local terms energy: -85.860894
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -353.596563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.596563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.596563 (E_RNA)
where:
Base-Base interactions energy: -249.908
where: short stacking energy: -105.995
Base-Backbone interact. energy: -0.090
local terms energy: -103.597974
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -24.459
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -27.770
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: 200
Temperature: 1.000000
Total energy: -345.319494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.319494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.319494 (E_RNA)
where:
Base-Base interactions energy: -243.207
where: short stacking energy: -88.938
Base-Backbone interact. energy: -0.089
local terms energy: -102.022919
where:
bonds (distance) C4'-P energy: -19.997
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -317.090641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.090641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.090641 (E_RNA)
where:
Base-Base interactions energy: -217.623
where: short stacking energy: -80.707
Base-Backbone interact. energy: -0.179
local terms energy: -99.288535
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -23.246
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -22.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -295.495627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.495627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.495627 (E_RNA)
where:
Base-Base interactions energy: -199.433
where: short stacking energy: -94.281
Base-Backbone interact. energy: -0.019
local terms energy: -96.043948
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -23.871
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: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -257.247220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.247220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.247220 (E_RNA)
where:
Base-Base interactions energy: -175.088
where: short stacking energy: -75.713
Base-Backbone interact. energy: -1.345
local terms energy: -80.814168
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -250.799948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.799948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.799948 (E_RNA)
where:
Base-Base interactions energy: -153.100
where: short stacking energy: -78.795
Base-Backbone interact. energy: -0.175
local terms energy: -97.525204
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -24.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -181.627088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.627088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.627088 (E_RNA)
where:
Base-Base interactions energy: -104.579
where: short stacking energy: -57.038
Base-Backbone interact. energy: -0.894
local terms energy: -76.153980
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -9.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -124.972276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.972276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.972276 (E_RNA)
where:
Base-Base interactions energy: -70.958
where: short stacking energy: -36.035
Base-Backbone interact. energy: -0.639
local terms energy: -53.375706
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: 5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -104.143968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.143968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.143968 (E_RNA)
where:
Base-Base interactions energy: -50.459
where: short stacking energy: -28.903
Base-Backbone interact. energy: 3.529
local terms energy: -57.214420
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: 5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -350.866414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.866414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.866414 (E_RNA)
where:
Base-Base interactions energy: -250.139
where: short stacking energy: -92.090
Base-Backbone interact. energy: -0.842
local terms energy: -99.884765
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -19.853
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -21.049
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: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -345.634463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.634463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.634463 (E_RNA)
where:
Base-Base interactions energy: -240.995
where: short stacking energy: -103.554
Base-Backbone interact. energy: -0.524
local terms energy: -104.115762
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -25.058
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -29.634
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: 201
Temperature: 1.000000
Total energy: -345.569365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.569365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.569365 (E_RNA)
where:
Base-Base interactions energy: -250.422
where: short stacking energy: -93.307
Base-Backbone interact. energy: -0.089
local terms energy: -95.058156
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -22.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -302.482314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.482314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.482314 (E_RNA)
where:
Base-Base interactions energy: -205.347
where: short stacking energy: -93.449
Base-Backbone interact. energy: -0.035
local terms energy: -97.100661
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -25.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -304.523852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.523852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.523852 (E_RNA)
where:
Base-Base interactions energy: -218.145
where: short stacking energy: -86.936
Base-Backbone interact. energy: -0.019
local terms energy: -86.359472
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -22.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -279.614502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.614502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.614502 (E_RNA)
where:
Base-Base interactions energy: -193.317
where: short stacking energy: -83.276
Base-Backbone interact. energy: -0.112
local terms energy: -86.185918
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -233.565671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.565671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.565671 (E_RNA)
where:
Base-Base interactions energy: -148.790
where: short stacking energy: -68.769
Base-Backbone interact. energy: 0.292
local terms energy: -85.066824
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -207.276668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.276668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.276668 (E_RNA)
where:
Base-Base interactions energy: -122.847
where: short stacking energy: -56.575
Base-Backbone interact. energy: -1.073
local terms energy: -83.357315
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -10.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -115.641422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.641422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.641422 (E_RNA)
where:
Base-Base interactions energy: -49.447
where: short stacking energy: -33.835
Base-Backbone interact. energy: -0.883
local terms energy: -65.311328
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -103.002608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.002608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.002608 (E_RNA)
where:
Base-Base interactions energy: -49.464
where: short stacking energy: -42.755
Base-Backbone interact. energy: 0.146
local terms energy: -53.684284
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: 2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -352.101219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.101219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.101219 (E_RNA)
where:
Base-Base interactions energy: -242.424
where: short stacking energy: -105.916
Base-Backbone interact. energy: -0.033
local terms energy: -109.644504
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -25.300
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -25.948
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: 10
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -342.542777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.542777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.542777 (E_RNA)
where:
Base-Base interactions energy: -258.032
where: short stacking energy: -99.438
Base-Backbone interact. energy: -0.167
local terms energy: -84.343490
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -22.470
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: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -357.725479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.725479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.725479 (E_RNA)
where:
Base-Base interactions energy: -260.577
where: short stacking energy: -87.167
Base-Backbone interact. energy: -0.562
local terms energy: -96.585855
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -23.234
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -22.363
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: 202
Temperature: 1.050000
Total energy: -305.748542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.748542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.748542 (E_RNA)
where:
Base-Base interactions energy: -212.695
where: short stacking energy: -81.738
Base-Backbone interact. energy: -0.394
local terms energy: -92.659357
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -21.720
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -23.831
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: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -301.304998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.304998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.304998 (E_RNA)
where:
Base-Base interactions energy: -213.610
where: short stacking energy: -95.493
Base-Backbone interact. energy: -0.246
local terms energy: -87.449163
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -20.258
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: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -242.119104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.119104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.119104 (E_RNA)
where:
Base-Base interactions energy: -155.927
where: short stacking energy: -81.151
Base-Backbone interact. energy: -0.376
local terms energy: -85.815743
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -12.620
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: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -241.434010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.434010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.434010 (E_RNA)
where:
Base-Base interactions energy: -145.838
where: short stacking energy: -68.824
Base-Backbone interact. energy: -0.817
local terms energy: -94.778631
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -16.784
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: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -213.963170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.963170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.963170 (E_RNA)
where:
Base-Base interactions energy: -149.977
where: short stacking energy: -70.203
Base-Backbone interact. energy: -0.332
local terms energy: -63.653435
where:
bonds (distance) C4'-P energy: -9.563
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -6.949
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: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -125.166535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.166535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.166535 (E_RNA)
where:
Base-Base interactions energy: -61.454
where: short stacking energy: -47.067
Base-Backbone interact. energy: 0.836
local terms energy: -64.548486
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -13.835
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: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -111.767420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.767420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.767420 (E_RNA)
where:
Base-Base interactions energy: -44.680
where: short stacking energy: -35.214
Base-Backbone interact. energy: -0.016
local terms energy: -67.070658
where:
bonds (distance) C4'-P energy: -20.917
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -350.928178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.928178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.928178 (E_RNA)
where:
Base-Base interactions energy: -249.904
where: short stacking energy: -104.084
Base-Backbone interact. energy: -0.410
local terms energy: -100.614859
where:
bonds (distance) C4'-P energy: -20.020
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -26.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -351.926523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.926523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.926523 (E_RNA)
where:
Base-Base interactions energy: -252.996
where: short stacking energy: -97.099
Base-Backbone interact. energy: -0.046
local terms energy: -98.885153
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -25.573
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -17.627
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: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -353.421792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.421792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.421792 (E_RNA)
where:
Base-Base interactions energy: -248.213
where: short stacking energy: -94.054
Base-Backbone interact. energy: -0.052
local terms energy: -105.156978
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -23.620
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -24.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -311.680592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.680592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.680592 (E_RNA)
where:
Base-Base interactions energy: -204.138
where: short stacking energy: -94.569
Base-Backbone interact. energy: -0.069
local terms energy: -107.473699
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -20.198
tors. eta vs tors. theta energy: -25.795
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: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -306.476417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.476417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.476417 (E_RNA)
where:
Base-Base interactions energy: -214.161
where: short stacking energy: -92.446
Base-Backbone interact. energy: -0.103
local terms energy: -92.212393
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -252.791431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.791431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.791431 (E_RNA)
where:
Base-Base interactions energy: -169.087
where: short stacking energy: -67.364
Base-Backbone interact. energy: -0.155
local terms energy: -83.549276
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -11.766
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: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -249.976602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.976602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.976602 (E_RNA)
where:
Base-Base interactions energy: -159.917
where: short stacking energy: -87.951
Base-Backbone interact. energy: -0.144
local terms energy: -89.915840
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -17.948
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -23.072
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: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -210.414585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.414585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.414585 (E_RNA)
where:
Base-Base interactions energy: -130.588
where: short stacking energy: -58.022
Base-Backbone interact. energy: -0.650
local terms energy: -79.176001
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -8.503
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: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -103.487493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.487493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.487493 (E_RNA)
where:
Base-Base interactions energy: -41.600
where: short stacking energy: -39.262
Base-Backbone interact. energy: 2.940
local terms energy: -64.827478
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -108.446081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.446081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.446081 (E_RNA)
where:
Base-Base interactions energy: -53.416
where: short stacking energy: -25.816
Base-Backbone interact. energy: -1.051
local terms energy: -53.979036
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: 6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -348.409705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.409705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.409705 (E_RNA)
where:
Base-Base interactions energy: -236.668
where: short stacking energy: -106.574
Base-Backbone interact. energy: -0.801
local terms energy: -110.940603
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -28.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -348.659662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.659662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.659662 (E_RNA)
where:
Base-Base interactions energy: -257.919
where: short stacking energy: -85.127
Base-Backbone interact. energy: -0.245
local terms energy: -90.495732
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -21.952
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -21.710
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: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -339.319850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.319850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.319850 (E_RNA)
where:
Base-Base interactions energy: -245.059
where: short stacking energy: -89.645
Base-Backbone interact. energy: -0.200
local terms energy: -94.060596
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -24.314
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: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -313.425356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.425356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.425356 (E_RNA)
where:
Base-Base interactions energy: -221.321
where: short stacking energy: -85.391
Base-Backbone interact. energy: -0.105
local terms energy: -91.998752
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -286.839424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.839424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.839424 (E_RNA)
where:
Base-Base interactions energy: -198.495
where: short stacking energy: -78.662
Base-Backbone interact. energy: -0.288
local terms energy: -88.056255
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -309.671038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.671038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.671038 (E_RNA)
where:
Base-Base interactions energy: -221.664
where: short stacking energy: -81.497
Base-Backbone interact. energy: -0.400
local terms energy: -87.606705
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -241.278171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.278171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.278171 (E_RNA)
where:
Base-Base interactions energy: -164.989
where: short stacking energy: -71.505
Base-Backbone interact. energy: -0.152
local terms energy: -76.137106
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -21.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -223.062118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.062118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.062118 (E_RNA)
where:
Base-Base interactions energy: -139.892
where: short stacking energy: -65.820
Base-Backbone interact. energy: -0.201
local terms energy: -82.969960
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -8.549
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: 9, replica: 8
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -140.304939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.304939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.304939 (E_RNA)
where:
Base-Base interactions energy: -69.706
where: short stacking energy: -50.816
Base-Backbone interact. energy: -0.637
local terms energy: -69.961933
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -7.361
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: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -112.938425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.938425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.938425 (E_RNA)
where:
Base-Base interactions energy: -37.927
where: short stacking energy: -37.927
Base-Backbone interact. energy: -0.097
local terms energy: -74.915043
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -346.139924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.139924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.139924 (E_RNA)
where:
Base-Base interactions energy: -233.281
where: short stacking energy: -105.910
Base-Backbone interact. energy: -0.065
local terms energy: -112.793939
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -30.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -352.279722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.279722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.279722 (E_RNA)
where:
Base-Base interactions energy: -249.179
where: short stacking energy: -93.466
Base-Backbone interact. energy: -0.278
local terms energy: -102.822933
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -25.685
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: 3, replica: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -350.606897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.606897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.606897 (E_RNA)
where:
Base-Base interactions energy: -256.001
where: short stacking energy: -89.760
Base-Backbone interact. energy: -0.173
local terms energy: -94.433533
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -18.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -310.461759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.461759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.461759 (E_RNA)
where:
Base-Base interactions energy: -205.581
where: short stacking energy: -90.389
Base-Backbone interact. energy: -0.037
local terms energy: -104.844088
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -23.303
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -23.852
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: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -271.939998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.939998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.939998 (E_RNA)
where:
Base-Base interactions energy: -189.647
where: short stacking energy: -70.408
Base-Backbone interact. energy: -0.616
local terms energy: -81.677460
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -287.257204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.257204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.257204 (E_RNA)
where:
Base-Base interactions energy: -197.263
where: short stacking energy: -84.618
Base-Backbone interact. energy: -0.488
local terms energy: -89.506498
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -240.967904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.967904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.967904 (E_RNA)
where:
Base-Base interactions energy: -160.984
where: short stacking energy: -77.650
Base-Backbone interact. energy: -0.464
local terms energy: -79.519483
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -18.814
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -220.155494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.155494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.155494 (E_RNA)
where:
Base-Base interactions energy: -148.263
where: short stacking energy: -58.183
Base-Backbone interact. energy: -0.456
local terms energy: -71.436774
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.042
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: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -111.981127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.981127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.981127 (E_RNA)
where:
Base-Base interactions energy: -58.804
where: short stacking energy: -43.691
Base-Backbone interact. energy: -0.443
local terms energy: -52.734395
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -101.627473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.627473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.627473 (E_RNA)
where:
Base-Base interactions energy: -41.303
where: short stacking energy: -24.416
Base-Backbone interact. energy: -0.140
local terms energy: -60.185282
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -10.253
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: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -358.362244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.362244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.362244 (E_RNA)
where:
Base-Base interactions energy: -253.307
where: short stacking energy: -96.990
Base-Backbone interact. energy: -0.809
local terms energy: -104.245448
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -25.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -346.204551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.204551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.204551 (E_RNA)
where:
Base-Base interactions energy: -247.589
where: short stacking energy: -98.408
Base-Backbone interact. energy: -0.121
local terms energy: -98.494990
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -24.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -344.315244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.315244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.315244 (E_RNA)
where:
Base-Base interactions energy: -256.520
where: short stacking energy: -96.552
Base-Backbone interact. energy: -0.802
local terms energy: -86.993343
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -21.689
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: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -314.083808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.083808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.083808 (E_RNA)
where:
Base-Base interactions energy: -213.899
where: short stacking energy: -95.120
Base-Backbone interact. energy: -0.064
local terms energy: -100.120751
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -309.015975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.015975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.015975 (E_RNA)
where:
Base-Base interactions energy: -216.255
where: short stacking energy: -83.128
Base-Backbone interact. energy: -0.141
local terms energy: -92.620272
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -21.701
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -25.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -238.780998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.780998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.780998 (E_RNA)
where:
Base-Base interactions energy: -163.878
where: short stacking energy: -71.429
Base-Backbone interact. energy: -0.008
local terms energy: -74.895473
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -9.169
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: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -221.088962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.088962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.088962 (E_RNA)
where:
Base-Base interactions energy: -146.647
where: short stacking energy: -63.321
Base-Backbone interact. energy: -0.778
local terms energy: -73.663953
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -20.086
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -6.893
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: 8, replica: 9
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -175.592210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.592210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.592210 (E_RNA)
where:
Base-Base interactions energy: -107.553
where: short stacking energy: -54.701
Base-Backbone interact. energy: -0.026
local terms energy: -68.013182
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -104.328369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.328369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.328369 (E_RNA)
where:
Base-Base interactions energy: -49.396
where: short stacking energy: -41.538
Base-Backbone interact. energy: -0.246
local terms energy: -54.686081
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -4.152
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -100.594841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.594841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.594841 (E_RNA)
where:
Base-Base interactions energy: -42.771
where: short stacking energy: -32.010
Base-Backbone interact. energy: -0.549
local terms energy: -57.274413
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: 0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -360.827824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.827824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.827824 (E_RNA)
where:
Base-Base interactions energy: -253.783
where: short stacking energy: -98.050
Base-Backbone interact. energy: -0.164
local terms energy: -106.881084
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -17.103
tors. eta vs tors. theta energy: -23.680
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: 207
Temperature: 0.950000
Total energy: -346.429702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.429702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.429702 (E_RNA)
where:
Base-Base interactions energy: -254.388
where: short stacking energy: -87.231
Base-Backbone interact. energy: -0.036
local terms energy: -92.005686
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -331.856304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.856304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.856304 (E_RNA)
where:
Base-Base interactions energy: -237.411
where: short stacking energy: -95.320
Base-Backbone interact. energy: -0.730
local terms energy: -93.715570
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -306.929270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.929270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.929270 (E_RNA)
where:
Base-Base interactions energy: -214.967
where: short stacking energy: -88.657
Base-Backbone interact. energy: -0.027
local terms energy: -91.935478
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -24.476
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: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -306.688892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.688892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.688892 (E_RNA)
where:
Base-Base interactions energy: -217.748
where: short stacking energy: -92.624
Base-Backbone interact. energy: -0.041
local terms energy: -88.899654
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -24.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -227.249299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.249299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.249299 (E_RNA)
where:
Base-Base interactions energy: -142.460
where: short stacking energy: -64.026
Base-Backbone interact. energy: -0.674
local terms energy: -84.115275
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -13.420
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: 7, replica: 3
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -226.222160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.222160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.222160 (E_RNA)
where:
Base-Base interactions energy: -153.796
where: short stacking energy: -64.901
Base-Backbone interact. energy: -0.813
local terms energy: -71.613209
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -148.841031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.841031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.841031 (E_RNA)
where:
Base-Base interactions energy: -80.742
where: short stacking energy: -49.189
Base-Backbone interact. energy: -0.108
local terms energy: -67.990427
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -111.239990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.239990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.239990 (E_RNA)
where:
Base-Base interactions energy: -62.877
where: short stacking energy: -40.453
Base-Backbone interact. energy: -0.467
local terms energy: -47.895425
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -99.821846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.821846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.821846 (E_RNA)
where:
Base-Base interactions energy: -40.234
where: short stacking energy: -27.760
Base-Backbone interact. energy: -0.222
local terms energy: -59.366007
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -9.322
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -353.517362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.517362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.517362 (E_RNA)
where:
Base-Base interactions energy: -259.503
where: short stacking energy: -95.455
Base-Backbone interact. energy: -0.565
local terms energy: -93.449645
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -22.664
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -347.493740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.493740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.493740 (E_RNA)
where:
Base-Base interactions energy: -248.441
where: short stacking energy: -89.833
Base-Backbone interact. energy: -0.117
local terms energy: -98.934829
where:
bonds (distance) C4'-P energy: -20.820
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -24.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -319.358745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.358745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.358745 (E_RNA)
where:
Base-Base interactions energy: -226.238
where: short stacking energy: -98.497
Base-Backbone interact. energy: -0.018
local terms energy: -93.102964
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -22.465
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: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -337.215650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.215650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.215650 (E_RNA)
where:
Base-Base interactions energy: -236.740
where: short stacking energy: -92.795
Base-Backbone interact. energy: 0.432
local terms energy: -100.907878
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -24.098
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -295.818762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.818762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.818762 (E_RNA)
where:
Base-Base interactions energy: -205.009
where: short stacking energy: -96.116
Base-Backbone interact. energy: -0.864
local terms energy: -89.945623
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -23.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -238.683953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.683953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.683953 (E_RNA)
where:
Base-Base interactions energy: -164.908
where: short stacking energy: -64.097
Base-Backbone interact. energy: -0.227
local terms energy: -73.549305
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -12.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -230.563613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.563613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.563613 (E_RNA)
where:
Base-Base interactions energy: -157.147
where: short stacking energy: -60.442
Base-Backbone interact. energy: -0.430
local terms energy: -72.987489
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -10.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -141.119950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.119950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.119950 (E_RNA)
where:
Base-Base interactions energy: -80.775
where: short stacking energy: -40.007
Base-Backbone interact. energy: -0.752
local terms energy: -59.593528
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -104.918429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.918429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.918429 (E_RNA)
where:
Base-Base interactions energy: -41.506
where: short stacking energy: -36.917
Base-Backbone interact. energy: -1.109
local terms energy: -62.303411
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -2.874
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -98.644735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.644735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.644735 (E_RNA)
where:
Base-Base interactions energy: -29.316
where: short stacking energy: -29.316
Base-Backbone interact. energy: 0.641
local terms energy: -69.969902
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -7.470
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: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -357.887418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.887418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.887418 (E_RNA)
where:
Base-Base interactions energy: -250.944
where: short stacking energy: -95.949
Base-Backbone interact. energy: 2.051
local terms energy: -108.993660
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -18.526
tors. eta vs tors. theta energy: -21.949
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: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -330.491558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.491558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.491558 (E_RNA)
where:
Base-Base interactions energy: -229.832
where: short stacking energy: -102.960
Base-Backbone interact. energy: -0.299
local terms energy: -100.361379
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -22.696
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: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -352.983288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.983288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.983288 (E_RNA)
where:
Base-Base interactions energy: -255.624
where: short stacking energy: -96.906
Base-Backbone interact. energy: -0.603
local terms energy: -96.756132
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -337.550324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.550324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.550324 (E_RNA)
where:
Base-Base interactions energy: -239.928
where: short stacking energy: -92.134
Base-Backbone interact. energy: -0.081
local terms energy: -97.540797
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -24.703
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: 209
Temperature: 1.100000
Total energy: -304.120799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.120799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.120799 (E_RNA)
where:
Base-Base interactions energy: -208.518
where: short stacking energy: -82.307
Base-Backbone interact. energy: -0.304
local terms energy: -95.298057
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -17.066
tors. eta vs tors. theta energy: -21.306
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: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -233.614506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.614506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.614506 (E_RNA)
where:
Base-Base interactions energy: -151.011
where: short stacking energy: -74.515
Base-Backbone interact. energy: 0.594
local terms energy: -83.198311
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -15.458
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: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -198.711885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.711885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.711885 (E_RNA)
where:
Base-Base interactions energy: -130.704
where: short stacking energy: -48.223
Base-Backbone interact. energy: -0.457
local terms energy: -67.550727
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -15.628
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: 8, replica: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -128.399329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.399329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.399329 (E_RNA)
where:
Base-Base interactions energy: -51.943
where: short stacking energy: -39.507
Base-Backbone interact. energy: 0.150
local terms energy: -76.606271
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -139.463362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.463362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.463362 (E_RNA)
where:
Base-Base interactions energy: -74.769
where: short stacking energy: -45.144
Base-Backbone interact. energy: -0.211
local terms energy: -64.483057
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -4.856
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: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -104.806145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.806145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.806145 (E_RNA)
where:
Base-Base interactions energy: -48.812
where: short stacking energy: -24.410
Base-Backbone interact. energy: -1.056
local terms energy: -54.939099
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: 6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -357.439995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.439995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.439995 (E_RNA)
where:
Base-Base interactions energy: -255.529
where: short stacking energy: -94.176
Base-Backbone interact. energy: -0.896
local terms energy: -101.014215
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -17.686
tors. eta vs tors. theta energy: -21.572
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: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -331.095169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.095169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.095169 (E_RNA)
where:
Base-Base interactions energy: -229.109
where: short stacking energy: -99.388
Base-Backbone interact. energy: 0.653
local terms energy: -102.638638
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -22.248
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -26.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -341.779081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.779081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.779081 (E_RNA)
where:
Base-Base interactions energy: -253.616
where: short stacking energy: -95.742
Base-Backbone interact. energy: -0.215
local terms energy: -87.948249
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -26.138
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: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -339.110229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.110229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.110229 (E_RNA)
where:
Base-Base interactions energy: -237.812
where: short stacking energy: -92.510
Base-Backbone interact. energy: -0.097
local terms energy: -101.201343
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -24.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -290.470115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.470115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.470115 (E_RNA)
where:
Base-Base interactions energy: -202.703
where: short stacking energy: -88.945
Base-Backbone interact. energy: -0.344
local terms energy: -87.423761
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -224.683459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.683459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.683459 (E_RNA)
where:
Base-Base interactions energy: -148.105
where: short stacking energy: -68.274
Base-Backbone interact. energy: -0.184
local terms energy: -76.394349
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -9.499
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: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -177.454795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.454795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.454795 (E_RNA)
where:
Base-Base interactions energy: -100.034
where: short stacking energy: -45.954
Base-Backbone interact. energy: -0.477
local terms energy: -76.943220
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -13.258
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: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -183.782773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.782773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.782773 (E_RNA)
where:
Base-Base interactions energy: -105.567
where: short stacking energy: -60.376
Base-Backbone interact. energy: -0.214
local terms energy: -78.001968
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -10.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -114.154500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.154500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.154500 (E_RNA)
where:
Base-Base interactions energy: -46.442
where: short stacking energy: -40.484
Base-Backbone interact. energy: -1.081
local terms energy: -66.630817
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -118.018185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.018185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.018185 (E_RNA)
where:
Base-Base interactions energy: -54.822
where: short stacking energy: -49.488
Base-Backbone interact. energy: 3.216
local terms energy: -66.412102
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -1.126
tors. eta vs tors. theta energy: -8.597
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: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -354.617089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.617089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.617089 (E_RNA)
where:
Base-Base interactions energy: -253.574
where: short stacking energy: -91.886
Base-Backbone interact. energy: -0.694
local terms energy: -100.348406
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -19.794
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -348.650976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.650976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.650976 (E_RNA)
where:
Base-Base interactions energy: -253.869
where: short stacking energy: -97.755
Base-Backbone interact. energy: -0.102
local terms energy: -94.679765
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -26.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -328.849167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.849167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.849167 (E_RNA)
where:
Base-Base interactions energy: -226.731
where: short stacking energy: -95.263
Base-Backbone interact. energy: -0.028
local terms energy: -102.090525
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -19.460
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: -27.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -333.106480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.106480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.106480 (E_RNA)
where:
Base-Base interactions energy: -233.072
where: short stacking energy: -87.855
Base-Backbone interact. energy: -0.161
local terms energy: -99.873087
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -24.310
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -23.284
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: 211
Temperature: 1.100000
Total energy: -301.785962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.785962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.785962 (E_RNA)
where:
Base-Base interactions energy: -203.571
where: short stacking energy: -93.962
Base-Backbone interact. energy: -0.737
local terms energy: -97.477946
where:
bonds (distance) C4'-P energy: -21.967
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -14.107
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: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -238.391969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.391969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.391969 (E_RNA)
where:
Base-Base interactions energy: -159.131
where: short stacking energy: -62.823
Base-Backbone interact. energy: -0.253
local terms energy: -79.008469
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -17.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -146.173958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.173958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.173958 (E_RNA)
where:
Base-Base interactions energy: -76.190
where: short stacking energy: -48.214
Base-Backbone interact. energy: -0.377
local terms energy: -69.607398
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -9.789
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: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -117.206245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.206245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.206245 (E_RNA)
where:
Base-Base interactions energy: -59.854
where: short stacking energy: -30.418
Base-Backbone interact. energy: -0.777
local terms energy: -56.575318
where:
bonds (distance) C4'-P energy: -21.127
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: 0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -161.608187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.608187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.608187 (E_RNA)
where:
Base-Base interactions energy: -95.979
where: short stacking energy: -45.184
Base-Backbone interact. energy: -0.678
local terms energy: -64.951743
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -10.058
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: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -107.442738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.442738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.442738 (E_RNA)
where:
Base-Base interactions energy: -40.921
where: short stacking energy: -24.584
Base-Backbone interact. energy: 0.061
local terms energy: -66.582844
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -357.550881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.550881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.550881 (E_RNA)
where:
Base-Base interactions energy: -250.703
where: short stacking energy: -94.407
Base-Backbone interact. energy: -0.163
local terms energy: -106.684863
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -17.090
tors. eta vs tors. theta energy: -28.622
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: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -360.257511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.257511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.257511 (E_RNA)
where:
Base-Base interactions energy: -261.251
where: short stacking energy: -89.164
Base-Backbone interact. energy: -0.496
local terms energy: -98.510592
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -21.885
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -351.253552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.253552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.253552 (E_RNA)
where:
Base-Base interactions energy: -252.183
where: short stacking energy: -100.014
Base-Backbone interact. energy: 1.587
local terms energy: -100.656926
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -22.884
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -23.113
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: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -314.955403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.955403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.955403 (E_RNA)
where:
Base-Base interactions energy: -211.376
where: short stacking energy: -100.295
Base-Backbone interact. energy: 0.070
local terms energy: -103.649431
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -29.802
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: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -285.453594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.453594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.453594 (E_RNA)
where:
Base-Base interactions energy: -190.064
where: short stacking energy: -75.293
Base-Backbone interact. energy: -0.791
local terms energy: -94.598573
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -255.029751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.029751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.029751 (E_RNA)
where:
Base-Base interactions energy: -177.333
where: short stacking energy: -65.793
Base-Backbone interact. energy: 1.285
local terms energy: -78.982450
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -12.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -171.743486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.743486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.743486 (E_RNA)
where:
Base-Base interactions energy: -101.778
where: short stacking energy: -56.112
Base-Backbone interact. energy: -0.462
local terms energy: -69.502932
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -9.891
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: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -127.319080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.319080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.319080 (E_RNA)
where:
Base-Base interactions energy: -59.565
where: short stacking energy: -41.862
Base-Backbone interact. energy: -0.335
local terms energy: -67.419397
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -13.119
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: 9, replica: 3
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -162.121958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.121958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.121958 (E_RNA)
where:
Base-Base interactions energy: -93.114
where: short stacking energy: -35.883
Base-Backbone interact. energy: -0.369
local terms energy: -68.638536
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -108.000255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.000255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.000255 (E_RNA)
where:
Base-Base interactions energy: -56.107
where: short stacking energy: -38.056
Base-Backbone interact. energy: 0.215
local terms energy: -52.107946
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -3.342
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: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -351.566014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.566014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.566014 (E_RNA)
where:
Base-Base interactions energy: -244.105
where: short stacking energy: -90.743
Base-Backbone interact. energy: -0.071
local terms energy: -107.390778
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -355.480121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.480121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.480121 (E_RNA)
where:
Base-Base interactions energy: -255.728
where: short stacking energy: -98.222
Base-Backbone interact. energy: 1.204
local terms energy: -100.956292
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: -23.890
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: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -343.430606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.430606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.430606 (E_RNA)
where:
Base-Base interactions energy: -253.331
where: short stacking energy: -86.910
Base-Backbone interact. energy: 0.859
local terms energy: -90.958434
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -21.269
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: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -313.024553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.024553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.024553 (E_RNA)
where:
Base-Base interactions energy: -216.019
where: short stacking energy: -100.826
Base-Backbone interact. energy: -0.019
local terms energy: -96.986339
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -29.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -287.273306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.273306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.273306 (E_RNA)
where:
Base-Base interactions energy: -195.860
where: short stacking energy: -82.348
Base-Backbone interact. energy: -0.819
local terms energy: -90.594067
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -18.868
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: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -245.893657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.893657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.893657 (E_RNA)
where:
Base-Base interactions energy: -162.026
where: short stacking energy: -67.124
Base-Backbone interact. energy: -0.085
local terms energy: -83.782308
where:
bonds (distance) C4'-P energy: -18.801
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -13.824
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: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -157.392458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.392458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.392458 (E_RNA)
where:
Base-Base interactions energy: -89.242
where: short stacking energy: -45.329
Base-Backbone interact. energy: -0.527
local terms energy: -67.623421
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -10.231
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: 8, replica: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -175.442904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.442904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.442904 (E_RNA)
where:
Base-Base interactions energy: -105.861
where: short stacking energy: -55.679
Base-Backbone interact. energy: -0.214
local terms energy: -69.367261
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -106.942410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.942410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.942410 (E_RNA)
where:
Base-Base interactions energy: -48.274
where: short stacking energy: -41.339
Base-Backbone interact. energy: -0.477
local terms energy: -58.191444
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -117.891943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.891943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.891943 (E_RNA)
where:
Base-Base interactions energy: -59.546
where: short stacking energy: -39.037
Base-Backbone interact. energy: -0.226
local terms energy: -58.119729
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -349.996939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.996939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.996939 (E_RNA)
where:
Base-Base interactions energy: -246.690
where: short stacking energy: -96.261
Base-Backbone interact. energy: -0.084
local terms energy: -103.222782
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -22.864
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: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -342.546851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.546851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.546851 (E_RNA)
where:
Base-Base interactions energy: -249.186
where: short stacking energy: -103.939
Base-Backbone interact. energy: -0.512
local terms energy: -92.848297
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -27.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -346.045813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.045813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.045813 (E_RNA)
where:
Base-Base interactions energy: -255.684
where: short stacking energy: -90.379
Base-Backbone interact. energy: 0.498
local terms energy: -90.859625
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -286.615673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.615673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.615673 (E_RNA)
where:
Base-Base interactions energy: -196.078
where: short stacking energy: -86.797
Base-Backbone interact. energy: 0.347
local terms energy: -90.884273
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -18.830
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: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -321.865930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.865930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.865930 (E_RNA)
where:
Base-Base interactions energy: -225.010
where: short stacking energy: -93.668
Base-Backbone interact. energy: -0.796
local terms energy: -96.060362
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -26.244
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: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -235.899446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.899446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.899446 (E_RNA)
where:
Base-Base interactions energy: -153.189
where: short stacking energy: -63.596
Base-Backbone interact. energy: -0.134
local terms energy: -82.576559
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -10.007
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: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -187.962205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.962205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.962205 (E_RNA)
where:
Base-Base interactions energy: -125.399
where: short stacking energy: -58.349
Base-Backbone interact. energy: -0.114
local terms energy: -62.449448
where:
bonds (distance) C4'-P energy: -8.264
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -160.330029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.330029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.330029 (E_RNA)
where:
Base-Base interactions energy: -86.547
where: short stacking energy: -56.324
Base-Backbone interact. energy: 1.303
local terms energy: -75.085984
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -12.315
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: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -109.382179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.382179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.382179 (E_RNA)
where:
Base-Base interactions energy: -52.166
where: short stacking energy: -27.221
Base-Backbone interact. energy: 2.061
local terms energy: -59.276852
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -108.014149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.014149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.014149 (E_RNA)
where:
Base-Base interactions energy: -46.092
where: short stacking energy: -46.092
Base-Backbone interact. energy: -0.958
local terms energy: -60.964631
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -3.800
tors. eta vs tors. theta energy: -0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -346.172269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.172269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.172269 (E_RNA)
where:
Base-Base interactions energy: -249.461
where: short stacking energy: -87.369
Base-Backbone interact. energy: -0.698
local terms energy: -96.013739
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -349.436250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.436250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.436250 (E_RNA)
where:
Base-Base interactions energy: -249.819
where: short stacking energy: -87.622
Base-Backbone interact. energy: -0.718
local terms energy: -98.899126
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -18.234
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -342.172677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.172677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.172677 (E_RNA)
where:
Base-Base interactions energy: -242.391
where: short stacking energy: -95.896
Base-Backbone interact. energy: -0.002
local terms energy: -99.779380
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -29.878
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: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -316.296025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.296025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.296025 (E_RNA)
where:
Base-Base interactions energy: -220.266
where: short stacking energy: -95.873
Base-Backbone interact. energy: 0.097
local terms energy: -96.126704
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -23.425
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: 215
Temperature: 1.100000
Total energy: -294.643074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.643074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.643074 (E_RNA)
where:
Base-Base interactions energy: -205.915
where: short stacking energy: -83.029
Base-Backbone interact. energy: -0.234
local terms energy: -88.493661
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -250.781680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.781680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.781680 (E_RNA)
where:
Base-Base interactions energy: -157.842
where: short stacking energy: -79.793
Base-Backbone interact. energy: 0.539
local terms energy: -93.478245
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -214.402262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.402262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.402262 (E_RNA)
where:
Base-Base interactions energy: -146.401
where: short stacking energy: -64.767
Base-Backbone interact. energy: -0.080
local terms energy: -67.920907
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -4.360
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -114.151561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.151561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.151561 (E_RNA)
where:
Base-Base interactions energy: -49.707
where: short stacking energy: -44.260
Base-Backbone interact. energy: 0.118
local terms energy: -64.562866
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -12.011
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: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -109.219939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.219939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.219939 (E_RNA)
where:
Base-Base interactions energy: -43.898
where: short stacking energy: -42.445
Base-Backbone interact. energy: 1.306
local terms energy: -66.627497
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -6.439
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: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -107.971846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.971846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.971846 (E_RNA)
where:
Base-Base interactions energy: -40.761
where: short stacking energy: -29.368
Base-Backbone interact. energy: -0.107
local terms energy: -67.103178
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -353.500438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.500438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.500438 (E_RNA)
where:
Base-Base interactions energy: -254.592
where: short stacking energy: -88.491
Base-Backbone interact. energy: 0.476
local terms energy: -99.384639
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -344.491369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.491369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.491369 (E_RNA)
where:
Base-Base interactions energy: -237.161
where: short stacking energy: -87.094
Base-Backbone interact. energy: -0.251
local terms energy: -107.079036
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -23.938
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -17.538
tors. eta vs tors. theta energy: -21.977
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: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -346.732940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.732940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.732940 (E_RNA)
where:
Base-Base interactions energy: -242.971
where: short stacking energy: -99.582
Base-Backbone interact. energy: -0.083
local terms energy: -103.678752
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -32.351
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: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -317.634567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.634567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.634567 (E_RNA)
where:
Base-Base interactions energy: -221.405
where: short stacking energy: -97.580
Base-Backbone interact. energy: 0.822
local terms energy: -97.052384
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -23.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -307.342694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.342694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.342694 (E_RNA)
where:
Base-Base interactions energy: -213.521
where: short stacking energy: -106.527
Base-Backbone interact. energy: -0.016
local terms energy: -93.805515
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -29.463
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: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -238.767273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.767273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.767273 (E_RNA)
where:
Base-Base interactions energy: -153.937
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.465
local terms energy: -84.365650
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -9.006
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: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -234.278091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.278091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.278091 (E_RNA)
where:
Base-Base interactions energy: -146.854
where: short stacking energy: -72.888
Base-Backbone interact. energy: -0.208
local terms energy: -87.215536
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -120.641413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.641413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.641413 (E_RNA)
where:
Base-Base interactions energy: -50.633
where: short stacking energy: -42.007
Base-Backbone interact. energy: -0.178
local terms energy: -69.831041
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -107.726574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.726574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.726574 (E_RNA)
where:
Base-Base interactions energy: -49.509
where: short stacking energy: -30.713
Base-Backbone interact. energy: -0.159
local terms energy: -58.057979
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -111.222836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.222836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.222836 (E_RNA)
where:
Base-Base interactions energy: -55.548
where: short stacking energy: -47.156
Base-Backbone interact. energy: -0.396
local terms energy: -55.278865
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -10.028
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: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -356.074765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.074765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.074765 (E_RNA)
where:
Base-Base interactions energy: -248.927
where: short stacking energy: -94.430
Base-Backbone interact. energy: -0.836
local terms energy: -106.311784
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -345.480708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.480708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.480708 (E_RNA)
where:
Base-Base interactions energy: -241.501
where: short stacking energy: -97.634
Base-Backbone interact. energy: -1.240
local terms energy: -102.739523
where:
bonds (distance) C4'-P energy: -20.141
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -25.266
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: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -344.759499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.759499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.759499 (E_RNA)
where:
Base-Base interactions energy: -240.720
where: short stacking energy: -101.047
Base-Backbone interact. energy: -0.101
local terms energy: -103.938747
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -26.594
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: 217
Temperature: 1.050000
Total energy: -320.950376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.950376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.950376 (E_RNA)
where:
Base-Base interactions energy: -228.682
where: short stacking energy: -102.077
Base-Backbone interact. energy: -0.077
local terms energy: -92.190800
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -24.027
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: 217
Temperature: 1.100000
Total energy: -319.913248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.913248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.913248 (E_RNA)
where:
Base-Base interactions energy: -226.197
where: short stacking energy: -85.407
Base-Backbone interact. energy: -0.445
local terms energy: -93.271005
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -21.596
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: 3
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -229.376914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.376914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.376914 (E_RNA)
where:
Base-Base interactions energy: -147.444
where: short stacking energy: -62.145
Base-Backbone interact. energy: -0.648
local terms energy: -81.284993
where:
bonds (distance) C4'-P energy: -20.088
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -224.583634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.583634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.583634 (E_RNA)
where:
Base-Base interactions energy: -149.481
where: short stacking energy: -63.015
Base-Backbone interact. energy: -0.730
local terms energy: -74.372175
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -112.113012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.113012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.113012 (E_RNA)
where:
Base-Base interactions energy: -43.943
where: short stacking energy: -39.570
Base-Backbone interact. energy: -0.159
local terms energy: -68.010220
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -119.264460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.264460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.264460 (E_RNA)
where:
Base-Base interactions energy: -44.403
where: short stacking energy: -33.134
Base-Backbone interact. energy: -1.073
local terms energy: -73.788098
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -126.188845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.188845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.188845 (E_RNA)
where:
Base-Base interactions energy: -56.834
where: short stacking energy: -49.832
Base-Backbone interact. energy: 0.249
local terms energy: -69.603767
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -350.406105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.406105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.406105 (E_RNA)
where:
Base-Base interactions energy: -242.191
where: short stacking energy: -92.082
Base-Backbone interact. energy: -0.643
local terms energy: -107.572358
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -24.634
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: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -351.278497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.278497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.278497 (E_RNA)
where:
Base-Base interactions energy: -248.528
where: short stacking energy: -90.551
Base-Backbone interact. energy: -0.495
local terms energy: -102.255928
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -22.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -342.609028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.609028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.609028 (E_RNA)
where:
Base-Base interactions energy: -249.844
where: short stacking energy: -101.433
Base-Backbone interact. energy: 3.392
local terms energy: -96.156748
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -15.655
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: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -313.283500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.283500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.283500 (E_RNA)
where:
Base-Base interactions energy: -214.087
where: short stacking energy: -99.457
Base-Backbone interact. energy: -0.002
local terms energy: -99.194692
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -26.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -322.990682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.990682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.990682 (E_RNA)
where:
Base-Base interactions energy: -224.463
where: short stacking energy: -99.276
Base-Backbone interact. energy: -0.008
local terms energy: -98.519860
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -25.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -238.684737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.684737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.684737 (E_RNA)
where:
Base-Base interactions energy: -163.579
where: short stacking energy: -73.479
Base-Backbone interact. energy: -0.271
local terms energy: -74.835120
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -214.833040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.833040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.833040 (E_RNA)
where:
Base-Base interactions energy: -133.695
where: short stacking energy: -61.015
Base-Backbone interact. energy: -0.123
local terms energy: -81.015187
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -16.085
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: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -121.622866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.622866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.622866 (E_RNA)
where:
Base-Base interactions energy: -60.659
where: short stacking energy: -46.582
Base-Backbone interact. energy: -0.502
local terms energy: -60.462267
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -126.531270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.531270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.531270 (E_RNA)
where:
Base-Base interactions energy: -69.299
where: short stacking energy: -36.097
Base-Backbone interact. energy: -1.099
local terms energy: -56.133986
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -8.620
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -98.616345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.616345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.616345 (E_RNA)
where:
Base-Base interactions energy: -49.659
where: short stacking energy: -36.297
Base-Backbone interact. energy: 1.172
local terms energy: -50.130030
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: 0.142
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: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -358.458449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.458449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.458449 (E_RNA)
where:
Base-Base interactions energy: -247.453
where: short stacking energy: -104.612
Base-Backbone interact. energy: -0.002
local terms energy: -111.003102
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -23.161
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -29.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -349.521821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.521821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.521821 (E_RNA)
where:
Base-Base interactions energy: -250.432
where: short stacking energy: -102.348
Base-Backbone interact. energy: -0.393
local terms energy: -98.696435
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -25.608
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: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -347.157789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.157789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.157789 (E_RNA)
where:
Base-Base interactions energy: -243.957
where: short stacking energy: -88.911
Base-Backbone interact. energy: -0.718
local terms energy: -102.482640
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -24.416
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -315.528623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.528623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.528623 (E_RNA)
where:
Base-Base interactions energy: -221.865
where: short stacking energy: -100.197
Base-Backbone interact. energy: -0.106
local terms energy: -93.557085
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -23.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -299.682370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.682370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.682370 (E_RNA)
where:
Base-Base interactions energy: -200.767
where: short stacking energy: -97.124
Base-Backbone interact. energy: -0.008
local terms energy: -98.906945
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -29.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -229.363129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.363129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.363129 (E_RNA)
where:
Base-Base interactions energy: -149.665
where: short stacking energy: -75.454
Base-Backbone interact. energy: -0.396
local terms energy: -79.302093
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -20.940
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -11.318
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: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -174.114225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.114225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.114225 (E_RNA)
where:
Base-Base interactions energy: -109.032
where: short stacking energy: -42.744
Base-Backbone interact. energy: -0.298
local terms energy: -64.784614
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -155.933129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.933129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.933129 (E_RNA)
where:
Base-Base interactions energy: -77.169
where: short stacking energy: -41.285
Base-Backbone interact. energy: 0.402
local terms energy: -79.166375
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -24.424
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -7.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -134.213358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.213358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.213358 (E_RNA)
where:
Base-Base interactions energy: -77.583
where: short stacking energy: -24.857
Base-Backbone interact. energy: -0.214
local terms energy: -56.416705
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: 5.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -105.300715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.300715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.300715 (E_RNA)
where:
Base-Base interactions energy: -39.260
where: short stacking energy: -39.260
Base-Backbone interact. energy: 0.860
local terms energy: -66.900393
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -353.086048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.086048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.086048 (E_RNA)
where:
Base-Base interactions energy: -245.643
where: short stacking energy: -111.118
Base-Backbone interact. energy: -1.548
local terms energy: -105.895664
where:
bonds (distance) C4'-P energy: -22.083
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -27.468
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: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -345.133271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.133271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.133271 (E_RNA)
where:
Base-Base interactions energy: -253.409
where: short stacking energy: -105.272
Base-Backbone interact. energy: -0.256
local terms energy: -91.467868
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -22.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -336.766192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.766192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.766192 (E_RNA)
where:
Base-Base interactions energy: -241.601
where: short stacking energy: -82.860
Base-Backbone interact. energy: -0.162
local terms energy: -95.002818
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -16.086
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: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -323.298478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.298478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.298478 (E_RNA)
where:
Base-Base interactions energy: -225.175
where: short stacking energy: -92.395
Base-Backbone interact. energy: -0.014
local terms energy: -98.109035
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -26.260
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: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -307.691155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.691155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.691155 (E_RNA)
where:
Base-Base interactions energy: -208.176
where: short stacking energy: -93.367
Base-Backbone interact. energy: -0.002
local terms energy: -99.512663
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -25.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -231.190064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.190064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.190064 (E_RNA)
where:
Base-Base interactions energy: -159.163
where: short stacking energy: -68.356
Base-Backbone interact. energy: -0.164
local terms energy: -71.862871
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -165.423320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.423320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.423320 (E_RNA)
where:
Base-Base interactions energy: -86.460
where: short stacking energy: -51.025
Base-Backbone interact. energy: 1.167
local terms energy: -80.130930
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -11.891
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: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -190.499202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.499202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.499202 (E_RNA)
where:
Base-Base interactions energy: -108.576
where: short stacking energy: -67.383
Base-Backbone interact. energy: -0.141
local terms energy: -81.782137
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -98.798752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.798752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.798752 (E_RNA)
where:
Base-Base interactions energy: -39.106
where: short stacking energy: -38.272
Base-Backbone interact. energy: -0.219
local terms energy: -59.474643
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: 4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -110.566465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.566465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.566465 (E_RNA)
where:
Base-Base interactions energy: -46.498
where: short stacking energy: -35.782
Base-Backbone interact. energy: -0.211
local terms energy: -63.857650
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -5.415
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -353.353032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.353032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.353032 (E_RNA)
where:
Base-Base interactions energy: -243.754
where: short stacking energy: -105.236
Base-Backbone interact. energy: -0.020
local terms energy: -109.579588
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -24.222
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -26.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -351.625692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.625692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.625692 (E_RNA)
where:
Base-Base interactions energy: -244.440
where: short stacking energy: -99.380
Base-Backbone interact. energy: 0.550
local terms energy: -107.735021
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -17.603
tors. eta vs tors. theta energy: -25.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -332.629672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.629672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.629672 (E_RNA)
where:
Base-Base interactions energy: -234.635
where: short stacking energy: -88.836
Base-Backbone interact. energy: 0.332
local terms energy: -98.326286
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -26.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -324.330469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.330469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.330469 (E_RNA)
where:
Base-Base interactions energy: -229.875
where: short stacking energy: -92.556
Base-Backbone interact. energy: 0.165
local terms energy: -94.620475
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -26.297
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: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -298.247933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.247933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.247933 (E_RNA)
where:
Base-Base interactions energy: -199.971
where: short stacking energy: -88.278
Base-Backbone interact. energy: -0.311
local terms energy: -97.965442
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -22.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -239.134888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.134888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.134888 (E_RNA)
where:
Base-Base interactions energy: -150.708
where: short stacking energy: -58.858
Base-Backbone interact. energy: -0.397
local terms energy: -88.029133
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -15.953
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: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -172.531893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.531893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.531893 (E_RNA)
where:
Base-Base interactions energy: -89.743
where: short stacking energy: -53.801
Base-Backbone interact. energy: 0.587
local terms energy: -83.375471
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -11.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -174.028618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.028618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.028618 (E_RNA)
where:
Base-Base interactions energy: -110.683
where: short stacking energy: -66.801
Base-Backbone interact. energy: -0.106
local terms energy: -63.239737
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: -11.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -114.559464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.559464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.559464 (E_RNA)
where:
Base-Base interactions energy: -45.599
where: short stacking energy: -45.066
Base-Backbone interact. energy: -0.907
local terms energy: -68.053950
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -112.113418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.113418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.113418 (E_RNA)
where:
Base-Base interactions energy: -49.219
where: short stacking energy: -35.935
Base-Backbone interact. energy: -0.153
local terms energy: -62.741503
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -351.631692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.631692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.631692 (E_RNA)
where:
Base-Base interactions energy: -249.398
where: short stacking energy: -108.766
Base-Backbone interact. energy: -0.052
local terms energy: -102.181639
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -28.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -349.421810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.421810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.421810 (E_RNA)
where:
Base-Base interactions energy: -249.619
where: short stacking energy: -111.549
Base-Backbone interact. energy: -0.014
local terms energy: -99.788710
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -28.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -331.283920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.283920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.283920 (E_RNA)
where:
Base-Base interactions energy: -229.650
where: short stacking energy: -94.685
Base-Backbone interact. energy: -0.012
local terms energy: -101.621764
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -24.386
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: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -320.869390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.869390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.869390 (E_RNA)
where:
Base-Base interactions energy: -224.541
where: short stacking energy: -88.009
Base-Backbone interact. energy: -0.251
local terms energy: -96.077500
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -13.457
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: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -301.939152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.939152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.939152 (E_RNA)
where:
Base-Base interactions energy: -211.754
where: short stacking energy: -84.455
Base-Backbone interact. energy: -0.304
local terms energy: -89.880785
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -14.722
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: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -230.725428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.725428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.725428 (E_RNA)
where:
Base-Base interactions energy: -137.878
where: short stacking energy: -66.038
Base-Backbone interact. energy: -0.028
local terms energy: -92.819680
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -21.390
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: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -183.648592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.648592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.648592 (E_RNA)
where:
Base-Base interactions energy: -122.307
where: short stacking energy: -64.988
Base-Backbone interact. energy: -0.296
local terms energy: -61.045751
where:
bonds (distance) C4'-P energy: -3.487
bonds (distance) P-C4' energy: -18.475
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -6.744
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: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -180.848920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.848920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.848920 (E_RNA)
where:
Base-Base interactions energy: -103.231
where: short stacking energy: -51.613
Base-Backbone interact. energy: -0.610
local terms energy: -77.007422
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -9.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -111.189885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.189885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.189885 (E_RNA)
where:
Base-Base interactions energy: -44.841
where: short stacking energy: -35.450
Base-Backbone interact. energy: -0.206
local terms energy: -66.142885
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -112.924257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.924257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.924257 (E_RNA)
where:
Base-Base interactions energy: -48.593
where: short stacking energy: -48.593
Base-Backbone interact. energy: 0.040
local terms energy: -64.370770
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -6.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -355.830262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.830262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.830262 (E_RNA)
where:
Base-Base interactions energy: -251.342
where: short stacking energy: -112.582
Base-Backbone interact. energy: -0.080
local terms energy: -104.408298
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -28.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -349.499041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.499041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.499041 (E_RNA)
where:
Base-Base interactions energy: -241.564
where: short stacking energy: -105.481
Base-Backbone interact. energy: -0.125
local terms energy: -107.810230
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -27.669
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: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -326.799315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.799315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.799315 (E_RNA)
where:
Base-Base interactions energy: -223.504
where: short stacking energy: -94.998
Base-Backbone interact. energy: 1.309
local terms energy: -104.604577
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -18.620
tors. eta vs tors. theta energy: -25.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -348.867743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.867743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.867743 (E_RNA)
where:
Base-Base interactions energy: -254.672
where: short stacking energy: -89.974
Base-Backbone interact. energy: -0.266
local terms energy: -93.929792
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -303.261317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.261317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.261317 (E_RNA)
where:
Base-Base interactions energy: -209.386
where: short stacking energy: -99.685
Base-Backbone interact. energy: -0.362
local terms energy: -93.513263
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -28.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -240.450486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.450486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.450486 (E_RNA)
where:
Base-Base interactions energy: -155.965
where: short stacking energy: -78.833
Base-Backbone interact. energy: -0.593
local terms energy: -83.892442
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -184.254451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.254451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.254451 (E_RNA)
where:
Base-Base interactions energy: -122.936
where: short stacking energy: -53.609
Base-Backbone interact. energy: -1.050
local terms energy: -60.268667
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -7.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -191.752974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.752974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.752974 (E_RNA)
where:
Base-Base interactions energy: -117.009
where: short stacking energy: -75.659
Base-Backbone interact. energy: -0.801
local terms energy: -73.943058
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -102.383527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.383527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.383527 (E_RNA)
where:
Base-Base interactions energy: -40.294
where: short stacking energy: -34.740
Base-Backbone interact. energy: -0.220
local terms energy: -61.870174
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: 0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -101.699735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.699735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.699735 (E_RNA)
where:
Base-Base interactions energy: -40.236
where: short stacking energy: -39.462
Base-Backbone interact. energy: -0.044
local terms energy: -61.419678
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -22.029
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -350.842347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.842347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.842347 (E_RNA)
where:
Base-Base interactions energy: -248.274
where: short stacking energy: -109.818
Base-Backbone interact. energy: -0.311
local terms energy: -102.257906
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -21.363
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -26.640
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: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -350.413496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.413496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.413496 (E_RNA)
where:
Base-Base interactions energy: -244.616
where: short stacking energy: -99.552
Base-Backbone interact. energy: -0.001
local terms energy: -105.796278
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -29.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -346.063072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.063072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.063072 (E_RNA)
where:
Base-Base interactions energy: -240.710
where: short stacking energy: -98.110
Base-Backbone interact. energy: -0.125
local terms energy: -105.228154
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -26.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -327.122111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.122111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.122111 (E_RNA)
where:
Base-Base interactions energy: -230.541
where: short stacking energy: -89.965
Base-Backbone interact. energy: -0.029
local terms energy: -96.552779
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -25.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -244.149507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.149507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.149507 (E_RNA)
where:
Base-Base interactions energy: -156.208
where: short stacking energy: -78.819
Base-Backbone interact. energy: -0.118
local terms energy: -87.823200
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -292.683143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.683143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.683143 (E_RNA)
where:
Base-Base interactions energy: -195.196
where: short stacking energy: -87.414
Base-Backbone interact. energy: -1.247
local terms energy: -96.240279
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -25.315
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: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -229.174708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.174708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.174708 (E_RNA)
where:
Base-Base interactions energy: -152.544
where: short stacking energy: -64.969
Base-Backbone interact. energy: -0.609
local terms energy: -76.022035
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -182.114797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.114797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.114797 (E_RNA)
where:
Base-Base interactions energy: -107.936
where: short stacking energy: -46.699
Base-Backbone interact. energy: -0.592
local terms energy: -73.587094
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -11.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -111.749491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.749491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.749491 (E_RNA)
where:
Base-Base interactions energy: -44.611
where: short stacking energy: -37.907
Base-Backbone interact. energy: -0.154
local terms energy: -66.984195
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -93.836750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.836750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.836750 (E_RNA)
where:
Base-Base interactions energy: -26.499
where: short stacking energy: -26.034
Base-Backbone interact. energy: -0.243
local terms energy: -67.095190
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -17.798
tors. eta vs tors. theta energy: 0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -359.033194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.033194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.033194 (E_RNA)
where:
Base-Base interactions energy: -252.775
where: short stacking energy: -110.749
Base-Backbone interact. energy: -0.000
local terms energy: -106.257380
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -18.832
flat angles C4'-P-C4' energy: -25.337
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -31.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -346.749022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.749022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.749022 (E_RNA)
where:
Base-Base interactions energy: -244.971
where: short stacking energy: -92.069
Base-Backbone interact. energy: -0.125
local terms energy: -101.653351
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -24.917
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: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -353.349956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.349956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.349956 (E_RNA)
where:
Base-Base interactions energy: -254.266
where: short stacking energy: -94.526
Base-Backbone interact. energy: -0.278
local terms energy: -98.806377
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -26.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -332.325395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.325395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.325395 (E_RNA)
where:
Base-Base interactions energy: -236.707
where: short stacking energy: -97.608
Base-Backbone interact. energy: -0.059
local terms energy: -95.559666
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -26.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -240.819382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.819382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.819382 (E_RNA)
where:
Base-Base interactions energy: -165.056
where: short stacking energy: -78.159
Base-Backbone interact. energy: -0.248
local terms energy: -75.514976
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -286.766514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.766514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.766514 (E_RNA)
where:
Base-Base interactions energy: -194.329
where: short stacking energy: -81.523
Base-Backbone interact. energy: 1.097
local terms energy: -93.534936
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: -24.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -246.899969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.899969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.899969 (E_RNA)
where:
Base-Base interactions energy: -155.313
where: short stacking energy: -82.780
Base-Backbone interact. energy: -0.524
local terms energy: -91.062231
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -26.531
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: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -195.489872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.489872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.489872 (E_RNA)
where:
Base-Base interactions energy: -116.194
where: short stacking energy: -65.533
Base-Backbone interact. energy: 0.501
local terms energy: -79.796417
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -22.011
flat angles P-C4'-P energy: -12.996
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: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -111.214201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.214201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.214201 (E_RNA)
where:
Base-Base interactions energy: -46.881
where: short stacking energy: -42.035
Base-Backbone interact. energy: -0.077
local terms energy: -64.256406
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -19.895
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -100.332864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.332864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.332864 (E_RNA)
where:
Base-Base interactions energy: -39.826
where: short stacking energy: -29.610
Base-Backbone interact. energy: -0.315
local terms energy: -60.191477
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -11.215
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: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -352.465352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.465352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.465352 (E_RNA)
where:
Base-Base interactions energy: -247.870
where: short stacking energy: -101.875
Base-Backbone interact. energy: -1.127
local terms energy: -103.468646
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -18.997
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -31.524
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: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -347.133425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.133425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.133425 (E_RNA)
where:
Base-Base interactions energy: -240.368
where: short stacking energy: -105.568
Base-Backbone interact. energy: -2.193
local terms energy: -104.572433
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -29.511
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: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -350.710316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.710316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.710316 (E_RNA)
where:
Base-Base interactions energy: -252.107
where: short stacking energy: -90.629
Base-Backbone interact. energy: -0.128
local terms energy: -98.475452
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -23.763
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: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -315.222269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.222269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.222269 (E_RNA)
where:
Base-Base interactions energy: -230.486
where: short stacking energy: -99.348
Base-Backbone interact. energy: -0.701
local terms energy: -84.034851
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -22.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -303.040606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.040606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.040606 (E_RNA)
where:
Base-Base interactions energy: -214.587
where: short stacking energy: -91.142
Base-Backbone interact. energy: -0.331
local terms energy: -88.122567
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -12.353
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: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -237.149820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.149820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.149820 (E_RNA)
where:
Base-Base interactions energy: -163.970
where: short stacking energy: -72.606
Base-Backbone interact. energy: -0.378
local terms energy: -72.801958
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -249.335565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.335565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.335565 (E_RNA)
where:
Base-Base interactions energy: -162.333
where: short stacking energy: -82.276
Base-Backbone interact. energy: 1.587
local terms energy: -88.589335
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -193.270950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.270950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.270950 (E_RNA)
where:
Base-Base interactions energy: -114.763
where: short stacking energy: -72.617
Base-Backbone interact. energy: -0.773
local terms energy: -77.734858
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -112.005182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.005182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.005182 (E_RNA)
where:
Base-Base interactions energy: -40.828
where: short stacking energy: -36.255
Base-Backbone interact. energy: -0.383
local terms energy: -70.794472
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -19.423
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -8.302
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: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -95.192190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.192190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.192190 (E_RNA)
where:
Base-Base interactions energy: -30.974
where: short stacking energy: -28.282
Base-Backbone interact. energy: -0.197
local terms energy: -64.021425
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -354.538977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.538977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.538977 (E_RNA)
where:
Base-Base interactions energy: -257.680
where: short stacking energy: -98.718
Base-Backbone interact. energy: -0.360
local terms energy: -96.499678
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -347.213373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.213373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.213373 (E_RNA)
where:
Base-Base interactions energy: -244.081
where: short stacking energy: -90.671
Base-Backbone interact. energy: -0.115
local terms energy: -103.018164
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -16.785
tors. eta vs tors. theta energy: -24.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -349.010613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.010613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.010613 (E_RNA)
where:
Base-Base interactions energy: -249.266
where: short stacking energy: -100.994
Base-Backbone interact. energy: -0.041
local terms energy: -99.703501
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -20.881
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -24.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -318.224005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.224005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.224005 (E_RNA)
where:
Base-Base interactions energy: -222.787
where: short stacking energy: -86.456
Base-Backbone interact. energy: -0.729
local terms energy: -94.708686
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -24.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -299.656045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.656045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.656045 (E_RNA)
where:
Base-Base interactions energy: -205.281
where: short stacking energy: -87.127
Base-Backbone interact. energy: -1.532
local terms energy: -92.842519
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -19.749
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: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -241.391283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.391283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.391283 (E_RNA)
where:
Base-Base interactions energy: -143.647
where: short stacking energy: -68.084
Base-Backbone interact. energy: -0.163
local terms energy: -97.581384
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -229.180641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.180641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.180641 (E_RNA)
where:
Base-Base interactions energy: -144.396
where: short stacking energy: -71.627
Base-Backbone interact. energy: -0.134
local terms energy: -84.650740
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -186.624210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.624210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.624210 (E_RNA)
where:
Base-Base interactions energy: -99.115
where: short stacking energy: -55.827
Base-Backbone interact. energy: -0.123
local terms energy: -87.386286
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -12.885
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: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -103.249510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.249510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.249510 (E_RNA)
where:
Base-Base interactions energy: -39.288
where: short stacking energy: -20.685
Base-Backbone interact. energy: -0.198
local terms energy: -63.763162
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -2.808
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: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -100.706920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.706920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.706920 (E_RNA)
where:
Base-Base interactions energy: -27.711
where: short stacking energy: -27.711
Base-Backbone interact. energy: -0.109
local terms energy: -72.887198
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -356.912481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.912481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.912481 (E_RNA)
where:
Base-Base interactions energy: -251.310
where: short stacking energy: -96.991
Base-Backbone interact. energy: -0.645
local terms energy: -104.957294
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -23.185
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -26.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -345.949352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.949352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.949352 (E_RNA)
where:
Base-Base interactions energy: -255.916
where: short stacking energy: -98.247
Base-Backbone interact. energy: -0.194
local terms energy: -89.839741
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -24.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -325.498946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.498946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.498946 (E_RNA)
where:
Base-Base interactions energy: -226.003
where: short stacking energy: -99.058
Base-Backbone interact. energy: -0.046
local terms energy: -99.450237
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -25.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -335.190627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.190627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.190627 (E_RNA)
where:
Base-Base interactions energy: -240.300
where: short stacking energy: -97.730
Base-Backbone interact. energy: -0.049
local terms energy: -94.841067
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: -27.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -295.134016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.134016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.134016 (E_RNA)
where:
Base-Base interactions energy: -205.410
where: short stacking energy: -90.172
Base-Backbone interact. energy: 0.323
local terms energy: -90.047755
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -23.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -242.063964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.063964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.063964 (E_RNA)
where:
Base-Base interactions energy: -156.251
where: short stacking energy: -71.946
Base-Backbone interact. energy: -0.152
local terms energy: -85.661494
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -229.274255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.274255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.274255 (E_RNA)
where:
Base-Base interactions energy: -150.589
where: short stacking energy: -82.381
Base-Backbone interact. energy: -0.031
local terms energy: -78.654762
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -181.716123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.716123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.716123 (E_RNA)
where:
Base-Base interactions energy: -115.830
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.260
local terms energy: -65.626731
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -9.254
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: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -103.490273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.490273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.490273 (E_RNA)
where:
Base-Base interactions energy: -37.252
where: short stacking energy: -24.211
Base-Backbone interact. energy: 0.848
local terms energy: -67.086061
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: 1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -107.189266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.189266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.189266 (E_RNA)
where:
Base-Base interactions energy: -46.646
where: short stacking energy: -31.036
Base-Backbone interact. energy: 0.534
local terms energy: -61.077099
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -4.339
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -365.260513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.260513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.260513 (E_RNA)
where:
Base-Base interactions energy: -261.026
where: short stacking energy: -102.509
Base-Backbone interact. energy: -0.164
local terms energy: -104.070372
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -27.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -350.235873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.235873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.235873 (E_RNA)
where:
Base-Base interactions energy: -245.922
where: short stacking energy: -93.057
Base-Backbone interact. energy: -0.721
local terms energy: -103.593226
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -22.998
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: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -325.597280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.597280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.597280 (E_RNA)
where:
Base-Base interactions energy: -233.946
where: short stacking energy: -96.019
Base-Backbone interact. energy: -0.468
local terms energy: -91.182996
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -27.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -314.127305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.127305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.127305 (E_RNA)
where:
Base-Base interactions energy: -220.612
where: short stacking energy: -91.553
Base-Backbone interact. energy: -0.148
local terms energy: -93.367499
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -23.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -327.994813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.994813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.994813 (E_RNA)
where:
Base-Base interactions energy: -222.153
where: short stacking energy: -94.527
Base-Backbone interact. energy: -0.013
local terms energy: -105.829159
where:
bonds (distance) C4'-P energy: -22.232
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -29.876
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: 229
Temperature: 1.150000
Total energy: -248.492089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.492089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.492089 (E_RNA)
where:
Base-Base interactions energy: -158.206
where: short stacking energy: -79.983
Base-Backbone interact. energy: -0.065
local terms energy: -90.221260
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -233.714675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.714675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.714675 (E_RNA)
where:
Base-Base interactions energy: -154.258
where: short stacking energy: -80.326
Base-Backbone interact. energy: -0.020
local terms energy: -79.436433
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -17.158
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: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -103.820581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.820581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.820581 (E_RNA)
where:
Base-Base interactions energy: -41.266
where: short stacking energy: -41.266
Base-Backbone interact. energy: -0.191
local terms energy: -62.363836
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -5.706
tors. eta vs tors. theta energy: -3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -186.814257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.814257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.814257 (E_RNA)
where:
Base-Base interactions energy: -113.522
where: short stacking energy: -58.357
Base-Backbone interact. energy: 0.426
local terms energy: -73.717978
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -13.875
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: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -85.937019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.937019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.937019 (E_RNA)
where:
Base-Base interactions energy: -46.789
where: short stacking energy: -29.116
Base-Backbone interact. energy: 0.240
local terms energy: -39.387509
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -4.008
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: 6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -355.812125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.812125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.812125 (E_RNA)
where:
Base-Base interactions energy: -260.277
where: short stacking energy: -96.727
Base-Backbone interact. energy: -0.157
local terms energy: -95.378357
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -13.409
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: 2, replica: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -355.276670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.276670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.276670 (E_RNA)
where:
Base-Base interactions energy: -248.653
where: short stacking energy: -96.843
Base-Backbone interact. energy: -0.112
local terms energy: -106.511347
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -16.681
tors. eta vs tors. theta energy: -25.559
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: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -332.459335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.459335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.459335 (E_RNA)
where:
Base-Base interactions energy: -229.570
where: short stacking energy: -100.057
Base-Backbone interact. energy: -0.056
local terms energy: -102.833141
where:
bonds (distance) C4'-P energy: -18.125
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -25.985
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: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -301.124315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.124315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.124315 (E_RNA)
where:
Base-Base interactions energy: -210.968
where: short stacking energy: -83.048
Base-Backbone interact. energy: -0.143
local terms energy: -90.013598
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -318.960933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.960933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.960933 (E_RNA)
where:
Base-Base interactions energy: -223.830
where: short stacking energy: -95.013
Base-Backbone interact. energy: -1.036
local terms energy: -94.094103
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -21.812
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -25.063
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: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -246.910342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.910342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.910342 (E_RNA)
where:
Base-Base interactions energy: -160.271
where: short stacking energy: -89.882
Base-Backbone interact. energy: -0.163
local terms energy: -86.475885
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -22.258
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -19.019
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: 230
Temperature: 1.200000
Total energy: -229.291140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.291140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.291140 (E_RNA)
where:
Base-Base interactions energy: -154.004
where: short stacking energy: -83.352
Base-Backbone interact. energy: -0.619
local terms energy: -74.667392
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -20.221
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: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -120.781957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.781957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.781957 (E_RNA)
where:
Base-Base interactions energy: -56.636
where: short stacking energy: -56.636
Base-Backbone interact. energy: -0.112
local terms energy: -64.034140
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -165.288063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.288063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.288063 (E_RNA)
where:
Base-Base interactions energy: -105.213
where: short stacking energy: -50.343
Base-Backbone interact. energy: -0.289
local terms energy: -59.786057
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -1.144
tors. eta vs tors. theta energy: -3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -104.847873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.847873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.847873 (E_RNA)
where:
Base-Base interactions energy: -40.207
where: short stacking energy: -28.809
Base-Backbone interact. energy: -0.525
local terms energy: -64.116045
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -356.695866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.695866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.695866 (E_RNA)
where:
Base-Base interactions energy: -252.732
where: short stacking energy: -95.181
Base-Backbone interact. energy: -0.186
local terms energy: -103.777322
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -26.735
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: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -345.784388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.784388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.784388 (E_RNA)
where:
Base-Base interactions energy: -244.827
where: short stacking energy: -99.990
Base-Backbone interact. energy: -1.595
local terms energy: -99.362363
where:
bonds (distance) C4'-P energy: -22.644
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -24.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -343.264938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.264938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.264938 (E_RNA)
where:
Base-Base interactions energy: -241.861
where: short stacking energy: -96.052
Base-Backbone interact. energy: -0.388
local terms energy: -101.015806
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -21.908
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -22.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -321.516506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.516506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.516506 (E_RNA)
where:
Base-Base interactions energy: -229.416
where: short stacking energy: -96.196
Base-Backbone interact. energy: -0.090
local terms energy: -92.010865
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -23.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -307.714982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.714982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.714982 (E_RNA)
where:
Base-Base interactions energy: -195.037
where: short stacking energy: -94.690
Base-Backbone interact. energy: -0.093
local terms energy: -112.584592
where:
bonds (distance) C4'-P energy: -23.309
bonds (distance) P-C4' energy: -21.836
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -27.072
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: 231
Temperature: 1.150000
Total energy: -244.835534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.835534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.835534 (E_RNA)
where:
Base-Base interactions energy: -168.488
where: short stacking energy: -76.274
Base-Backbone interact. energy: 2.084
local terms energy: -78.431813
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -18.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -224.460989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.460989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.460989 (E_RNA)
where:
Base-Base interactions energy: -146.849
where: short stacking energy: -73.230
Base-Backbone interact. energy: -0.391
local terms energy: -77.221588
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -172.197354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.197354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.197354 (E_RNA)
where:
Base-Base interactions energy: -85.762
where: short stacking energy: -50.889
Base-Backbone interact. energy: -0.075
local terms energy: -86.360302
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -17.647
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: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -115.464848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.464848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.464848 (E_RNA)
where:
Base-Base interactions energy: -53.925
where: short stacking energy: -48.771
Base-Backbone interact. energy: 3.528
local terms energy: -65.067982
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -94.230875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.230875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.230875 (E_RNA)
where:
Base-Base interactions energy: -33.154
where: short stacking energy: -22.023
Base-Backbone interact. energy: 0.286
local terms energy: -61.363134
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: 4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -335.306298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.306298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.306298 (E_RNA)
where:
Base-Base interactions energy: -238.131
where: short stacking energy: -99.808
Base-Backbone interact. energy: -0.028
local terms energy: -97.147587
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -24.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -351.549412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.549412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.549412 (E_RNA)
where:
Base-Base interactions energy: -250.498
where: short stacking energy: -96.009
Base-Backbone interact. energy: -0.133
local terms energy: -100.917988
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -24.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -333.439889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.439889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.439889 (E_RNA)
where:
Base-Base interactions energy: -232.730
where: short stacking energy: -93.957
Base-Backbone interact. energy: 1.172
local terms energy: -101.881751
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -25.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -334.529661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.529661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.529661 (E_RNA)
where:
Base-Base interactions energy: -243.287
where: short stacking energy: -90.393
Base-Backbone interact. energy: -0.129
local terms energy: -91.113705
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -21.005
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: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -291.115485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.115485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.115485 (E_RNA)
where:
Base-Base interactions energy: -195.745
where: short stacking energy: -91.375
Base-Backbone interact. energy: -0.084
local terms energy: -95.286667
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -23.954
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: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -250.376004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.376004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.376004 (E_RNA)
where:
Base-Base interactions energy: -155.627
where: short stacking energy: -79.822
Base-Backbone interact. energy: -0.551
local terms energy: -94.197501
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -179.780609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.780609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.780609 (E_RNA)
where:
Base-Base interactions energy: -105.570
where: short stacking energy: -57.383
Base-Backbone interact. energy: -0.139
local terms energy: -74.071501
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -11.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -225.931785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.931785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.931785 (E_RNA)
where:
Base-Base interactions energy: -148.360
where: short stacking energy: -72.506
Base-Backbone interact. energy: -0.238
local terms energy: -77.333766
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -13.239
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: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -99.018611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.018611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.018611 (E_RNA)
where:
Base-Base interactions energy: -39.560
where: short stacking energy: -37.810
Base-Backbone interact. energy: -0.434
local terms energy: -59.023881
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -4.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -102.784329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.784329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.784329 (E_RNA)
where:
Base-Base interactions energy: -42.152
where: short stacking energy: -33.806
Base-Backbone interact. energy: -0.294
local terms energy: -60.338350
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -346.440975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.440975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.440975 (E_RNA)
where:
Base-Base interactions energy: -244.710
where: short stacking energy: -100.902
Base-Backbone interact. energy: -0.013
local terms energy: -101.717757
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -351.089464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.089464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.089464 (E_RNA)
where:
Base-Base interactions energy: -244.247
where: short stacking energy: -91.816
Base-Backbone interact. energy: -1.228
local terms energy: -105.614640
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -27.484
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: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -334.638314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.638314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.638314 (E_RNA)
where:
Base-Base interactions energy: -235.157
where: short stacking energy: -95.914
Base-Backbone interact. energy: -0.706
local terms energy: -98.774909
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -22.462
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -25.579
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: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -345.218674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.218674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.218674 (E_RNA)
where:
Base-Base interactions energy: -256.496
where: short stacking energy: -90.693
Base-Backbone interact. energy: -0.067
local terms energy: -88.655440
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -24.812
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: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -289.606638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.606638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.606638 (E_RNA)
where:
Base-Base interactions energy: -195.948
where: short stacking energy: -82.427
Base-Backbone interact. energy: -0.000
local terms energy: -93.657872
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -25.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -250.502036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.502036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.502036 (E_RNA)
where:
Base-Base interactions energy: -161.344
where: short stacking energy: -86.906
Base-Backbone interact. energy: -0.002
local terms energy: -89.155933
where:
bonds (distance) C4'-P energy: -20.510
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -24.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -195.153200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.153200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.153200 (E_RNA)
where:
Base-Base interactions energy: -109.480
where: short stacking energy: -60.618
Base-Backbone interact. energy: -0.122
local terms energy: -85.551181
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -224.711367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.711367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.711367 (E_RNA)
where:
Base-Base interactions energy: -137.151
where: short stacking energy: -64.345
Base-Backbone interact. energy: -0.147
local terms energy: -87.413576
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -106.290896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.290896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.290896 (E_RNA)
where:
Base-Base interactions energy: -52.115
where: short stacking energy: -41.800
Base-Backbone interact. energy: 0.791
local terms energy: -54.967126
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -5.670
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: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -112.679183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.679183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.679183 (E_RNA)
where:
Base-Base interactions energy: -50.967
where: short stacking energy: -43.112
Base-Backbone interact. energy: 0.570
local terms energy: -62.282326
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -7.099
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: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -355.738858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.738858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.738858 (E_RNA)
where:
Base-Base interactions energy: -261.724
where: short stacking energy: -94.286
Base-Backbone interact. energy: -0.458
local terms energy: -93.556784
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -23.617
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -22.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -345.010262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.010262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.010262 (E_RNA)
where:
Base-Base interactions energy: -245.207
where: short stacking energy: -93.385
Base-Backbone interact. energy: -1.105
local terms energy: -98.698328
where:
bonds (distance) C4'-P energy: -23.564
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -26.776
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: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -358.416881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.416881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.416881 (E_RNA)
where:
Base-Base interactions energy: -255.836
where: short stacking energy: -101.448
Base-Backbone interact. energy: -0.095
local terms energy: -102.485758
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -19.260
tors. eta vs tors. theta energy: -23.267
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: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -335.072939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.072939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.072939 (E_RNA)
where:
Base-Base interactions energy: -238.695
where: short stacking energy: -83.527
Base-Backbone interact. energy: -0.032
local terms energy: -96.346575
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -21.109
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -20.626
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: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -301.653492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.653492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.653492 (E_RNA)
where:
Base-Base interactions energy: -201.216
where: short stacking energy: -94.279
Base-Backbone interact. energy: 0.120
local terms energy: -100.557885
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -30.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -245.707030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.707030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.707030 (E_RNA)
where:
Base-Base interactions energy: -157.231
where: short stacking energy: -83.097
Base-Backbone interact. energy: -0.467
local terms energy: -88.008917
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -21.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -232.498919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.498919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.498919 (E_RNA)
where:
Base-Base interactions energy: -146.402
where: short stacking energy: -67.002
Base-Backbone interact. energy: 0.330
local terms energy: -86.426728
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -23.417
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -21.755
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: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -183.992857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.992857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.992857 (E_RNA)
where:
Base-Base interactions energy: -112.569
where: short stacking energy: -53.379
Base-Backbone interact. energy: -0.219
local terms energy: -71.204541
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -114.230315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.230315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.230315 (E_RNA)
where:
Base-Base interactions energy: -38.003
where: short stacking energy: -31.568
Base-Backbone interact. energy: 0.247
local terms energy: -76.474367
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -92.786964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.786964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.786964 (E_RNA)
where:
Base-Base interactions energy: -32.815
where: short stacking energy: -33.080
Base-Backbone interact. energy: -0.476
local terms energy: -59.495885
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -7.139
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: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -356.994291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.994291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.994291 (E_RNA)
where:
Base-Base interactions energy: -259.132
where: short stacking energy: -93.522
Base-Backbone interact. energy: -0.438
local terms energy: -97.424468
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: -20.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -355.305289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.305289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.305289 (E_RNA)
where:
Base-Base interactions energy: -251.573
where: short stacking energy: -97.787
Base-Backbone interact. energy: -0.096
local terms energy: -103.635617
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -27.051
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: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -331.165817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.165817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.165817 (E_RNA)
where:
Base-Base interactions energy: -237.749
where: short stacking energy: -97.474
Base-Backbone interact. energy: 0.070
local terms energy: -93.487328
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -24.316
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: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -338.333836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.333836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.333836 (E_RNA)
where:
Base-Base interactions energy: -240.473
where: short stacking energy: -90.539
Base-Backbone interact. energy: -0.119
local terms energy: -97.741722
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -20.750
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -23.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -303.054718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.054718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.054718 (E_RNA)
where:
Base-Base interactions energy: -212.470
where: short stacking energy: -87.866
Base-Backbone interact. energy: -0.056
local terms energy: -90.528807
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -257.197510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.197510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.197510 (E_RNA)
where:
Base-Base interactions energy: -166.765
where: short stacking energy: -84.539
Base-Backbone interact. energy: -0.198
local terms energy: -90.234253
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -23.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -220.742172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.742172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.742172 (E_RNA)
where:
Base-Base interactions energy: -137.528
where: short stacking energy: -66.121
Base-Backbone interact. energy: -0.178
local terms energy: -83.036802
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -208.178307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.178307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.178307 (E_RNA)
where:
Base-Base interactions energy: -133.421
where: short stacking energy: -61.157
Base-Backbone interact. energy: -0.000
local terms energy: -74.756923
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -11.702
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: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -108.791566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.791566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.791566 (E_RNA)
where:
Base-Base interactions energy: -44.277
where: short stacking energy: -39.494
Base-Backbone interact. energy: -1.277
local terms energy: -63.238104
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -104.981587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.981587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.981587 (E_RNA)
where:
Base-Base interactions energy: -33.424
where: short stacking energy: -33.027
Base-Backbone interact. energy: 0.605
local terms energy: -72.162205
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -8.395
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: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -355.413843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.413843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.413843 (E_RNA)
where:
Base-Base interactions energy: -259.634
where: short stacking energy: -94.350
Base-Backbone interact. energy: -0.176
local terms energy: -95.604184
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -352.344002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.344002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.344002 (E_RNA)
where:
Base-Base interactions energy: -252.823
where: short stacking energy: -99.584
Base-Backbone interact. energy: -0.102
local terms energy: -99.418098
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -25.734
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: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -342.377795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.377795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.377795 (E_RNA)
where:
Base-Base interactions energy: -239.652
where: short stacking energy: -100.544
Base-Backbone interact. energy: -0.149
local terms energy: -102.577024
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -24.380
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -27.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -327.838782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.838782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.838782 (E_RNA)
where:
Base-Base interactions energy: -234.136
where: short stacking energy: -98.304
Base-Backbone interact. energy: -0.208
local terms energy: -93.494347
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -22.774
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: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -304.942462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.942462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.942462 (E_RNA)
where:
Base-Base interactions energy: -225.186
where: short stacking energy: -86.308
Base-Backbone interact. energy: 1.214
local terms energy: -80.970634
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -12.642
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: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -236.780872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.780872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.780872 (E_RNA)
where:
Base-Base interactions energy: -144.779
where: short stacking energy: -69.674
Base-Backbone interact. energy: -0.037
local terms energy: -91.964836
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -231.469785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.469785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.469785 (E_RNA)
where:
Base-Base interactions energy: -151.510
where: short stacking energy: -74.521
Base-Backbone interact. energy: -0.004
local terms energy: -79.955501
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -21.801
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: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -178.959538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.959538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.959538 (E_RNA)
where:
Base-Base interactions energy: -102.287
where: short stacking energy: -51.116
Base-Backbone interact. energy: 0.371
local terms energy: -77.043323
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -10.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -114.558761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.558761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.558761 (E_RNA)
where:
Base-Base interactions energy: -55.030
where: short stacking energy: -32.374
Base-Backbone interact. energy: -0.447
local terms energy: -59.080887
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -4.447
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -93.399612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.399612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.399612 (E_RNA)
where:
Base-Base interactions energy: -32.300
where: short stacking energy: -31.975
Base-Backbone interact. energy: -0.211
local terms energy: -60.889388
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -360.805619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.805619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.805619 (E_RNA)
where:
Base-Base interactions energy: -256.835
where: short stacking energy: -100.915
Base-Backbone interact. energy: -0.037
local terms energy: -103.933324
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -26.749
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: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -353.222272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.222272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.222272 (E_RNA)
where:
Base-Base interactions energy: -256.340
where: short stacking energy: -96.919
Base-Backbone interact. energy: -0.559
local terms energy: -96.324041
where:
bonds (distance) C4'-P energy: -24.376
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -9.866
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: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -345.138844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.138844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.138844 (E_RNA)
where:
Base-Base interactions energy: -248.812
where: short stacking energy: -91.380
Base-Backbone interact. energy: -0.137
local terms energy: -96.189519
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -26.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -321.659934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.659934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.659934 (E_RNA)
where:
Base-Base interactions energy: -221.753
where: short stacking energy: -98.227
Base-Backbone interact. energy: -0.266
local terms energy: -99.641892
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -23.103
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -23.340
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: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -318.780471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.780471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.780471 (E_RNA)
where:
Base-Base interactions energy: -212.776
where: short stacking energy: -92.562
Base-Backbone interact. energy: -0.005
local terms energy: -105.999234
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -29.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -254.863703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.863703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.863703 (E_RNA)
where:
Base-Base interactions energy: -161.959
where: short stacking energy: -82.539
Base-Backbone interact. energy: -0.110
local terms energy: -92.794670
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -22.725
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -20.778
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: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -217.949616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.949616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.949616 (E_RNA)
where:
Base-Base interactions energy: -140.972
where: short stacking energy: -66.748
Base-Backbone interact. energy: -1.226
local terms energy: -75.751873
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -13.423
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: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -176.546936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.546936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.546936 (E_RNA)
where:
Base-Base interactions energy: -93.668
where: short stacking energy: -54.516
Base-Backbone interact. energy: -0.284
local terms energy: -82.594573
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -112.063594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.063594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.063594 (E_RNA)
where:
Base-Base interactions energy: -49.923
where: short stacking energy: -48.719
Base-Backbone interact. energy: -0.279
local terms energy: -61.861680
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -126.831334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.831334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.831334 (E_RNA)
where:
Base-Base interactions energy: -47.758
where: short stacking energy: -44.957
Base-Backbone interact. energy: 0.202
local terms energy: -79.275129
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -7.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -362.025897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.025897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.025897 (E_RNA)
where:
Base-Base interactions energy: -253.821
where: short stacking energy: -96.873
Base-Backbone interact. energy: -0.123
local terms energy: -108.081306
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -24.795
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -351.121499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.121499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.121499 (E_RNA)
where:
Base-Base interactions energy: -248.041
where: short stacking energy: -91.800
Base-Backbone interact. energy: -0.256
local terms energy: -102.824384
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -23.406
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -24.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -331.580784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.580784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.580784 (E_RNA)
where:
Base-Base interactions energy: -236.706
where: short stacking energy: -97.519
Base-Backbone interact. energy: -0.344
local terms energy: -94.530466
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -24.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -346.191062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.191062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.191062 (E_RNA)
where:
Base-Base interactions energy: -246.618
where: short stacking energy: -95.035
Base-Backbone interact. energy: -0.323
local terms energy: -99.250048
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -21.226
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: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -299.155861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.155861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.155861 (E_RNA)
where:
Base-Base interactions energy: -200.691
where: short stacking energy: -82.524
Base-Backbone interact. energy: -0.580
local terms energy: -97.885624
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -16.217
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: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -245.891307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.891307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.891307 (E_RNA)
where:
Base-Base interactions energy: -159.139
where: short stacking energy: -84.473
Base-Backbone interact. energy: -0.585
local terms energy: -86.167627
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -216.807643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.807643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.807643 (E_RNA)
where:
Base-Base interactions energy: -141.701
where: short stacking energy: -56.569
Base-Backbone interact. energy: -0.505
local terms energy: -74.600797
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -5.141
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: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -232.962821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.962821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.962821 (E_RNA)
where:
Base-Base interactions energy: -160.985
where: short stacking energy: -56.683
Base-Backbone interact. energy: 0.101
local terms energy: -72.078755
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -10.875
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: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -115.756790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.756790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.756790 (E_RNA)
where:
Base-Base interactions energy: -40.593
where: short stacking energy: -40.385
Base-Backbone interact. energy: 0.022
local terms energy: -75.186095
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -11.767
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: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -111.012014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.012014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.012014 (E_RNA)
where:
Base-Base interactions energy: -53.194
where: short stacking energy: -27.063
Base-Backbone interact. energy: 2.600
local terms energy: -60.417969
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: 3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -355.207270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.207270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.207270 (E_RNA)
where:
Base-Base interactions energy: -258.049
where: short stacking energy: -98.245
Base-Backbone interact. energy: -0.292
local terms energy: -96.866587
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -15.238
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: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -352.157257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.157257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.157257 (E_RNA)
where:
Base-Base interactions energy: -251.914
where: short stacking energy: -87.507
Base-Backbone interact. energy: -0.620
local terms energy: -99.623885
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -326.413232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.413232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.413232 (E_RNA)
where:
Base-Base interactions energy: -227.641
where: short stacking energy: -106.585
Base-Backbone interact. energy: -0.001
local terms energy: -98.771017
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -340.959803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.959803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.959803 (E_RNA)
where:
Base-Base interactions energy: -246.805
where: short stacking energy: -89.978
Base-Backbone interact. energy: -0.118
local terms energy: -94.036568
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -22.416
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -26.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -297.870856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.870856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.870856 (E_RNA)
where:
Base-Base interactions energy: -207.384
where: short stacking energy: -81.586
Base-Backbone interact. energy: 0.007
local terms energy: -90.493549
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -16.372
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: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -242.521365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.521365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.521365 (E_RNA)
where:
Base-Base interactions energy: -158.421
where: short stacking energy: -75.030
Base-Backbone interact. energy: -1.882
local terms energy: -82.217813
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -233.289826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.289826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.289826 (E_RNA)
where:
Base-Base interactions energy: -144.420
where: short stacking energy: -74.871
Base-Backbone interact. energy: -0.262
local terms energy: -88.607545
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -248.847854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.847854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.847854 (E_RNA)
where:
Base-Base interactions energy: -170.692
where: short stacking energy: -74.894
Base-Backbone interact. energy: -0.218
local terms energy: -77.937787
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -9.098
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -16.176
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: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -102.957800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.957800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.957800 (E_RNA)
where:
Base-Base interactions energy: -48.587
where: short stacking energy: -36.877
Base-Backbone interact. energy: 0.126
local terms energy: -54.496355
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -125.483589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.483589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.483589 (E_RNA)
where:
Base-Base interactions energy: -57.965
where: short stacking energy: -49.553
Base-Backbone interact. energy: -0.178
local terms energy: -67.341019
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -355.744453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.744453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.744453 (E_RNA)
where:
Base-Base interactions energy: -257.688
where: short stacking energy: -97.946
Base-Backbone interact. energy: -0.154
local terms energy: -97.902162
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -18.750
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: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -349.663078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.663078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.663078 (E_RNA)
where:
Base-Base interactions energy: -254.177
where: short stacking energy: -91.077
Base-Backbone interact. energy: -0.169
local terms energy: -95.316395
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -21.980
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -22.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -352.072768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.072768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.072768 (E_RNA)
where:
Base-Base interactions energy: -254.335
where: short stacking energy: -94.370
Base-Backbone interact. energy: -0.019
local terms energy: -97.719202
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -330.623381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.623381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.623381 (E_RNA)
where:
Base-Base interactions energy: -234.177
where: short stacking energy: -101.544
Base-Backbone interact. energy: -0.104
local terms energy: -96.342211
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -23.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -278.995594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.995594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.995594 (E_RNA)
where:
Base-Base interactions energy: -185.893
where: short stacking energy: -85.800
Base-Backbone interact. energy: -0.236
local terms energy: -92.865955
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -13.021
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: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -309.135007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.135007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.135007 (E_RNA)
where:
Base-Base interactions energy: -213.620
where: short stacking energy: -101.443
Base-Backbone interact. energy: -1.134
local terms energy: -94.381169
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -17.833
tors. eta vs tors. theta energy: -25.287
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: 240
Temperature: 1.200000
Total energy: -228.811381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.811381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.811381 (E_RNA)
where:
Base-Base interactions energy: -145.253
where: short stacking energy: -74.264
Base-Backbone interact. energy: -0.256
local terms energy: -83.302322
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -234.790269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.790269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.790269 (E_RNA)
where:
Base-Base interactions energy: -152.917
where: short stacking energy: -67.991
Base-Backbone interact. energy: -0.334
local terms energy: -81.539165
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -16.577
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: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -107.587428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.587428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.587428 (E_RNA)
where:
Base-Base interactions energy: -46.565
where: short stacking energy: -29.606
Base-Backbone interact. energy: -0.027
local terms energy: -60.994937
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -108.689140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.689140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.689140 (E_RNA)
where:
Base-Base interactions energy: -43.467
where: short stacking energy: -41.420
Base-Backbone interact. energy: 3.042
local terms energy: -68.263409
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -6.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -358.925952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.925952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.925952 (E_RNA)
where:
Base-Base interactions energy: -258.668
where: short stacking energy: -97.659
Base-Backbone interact. energy: -0.725
local terms energy: -99.532598
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -23.900
flat angles C4'-P-C4' energy: -21.312
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -351.555527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.555527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.555527 (E_RNA)
where:
Base-Base interactions energy: -254.947
where: short stacking energy: -93.551
Base-Backbone interact. energy: -1.212
local terms energy: -95.396670
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -15.920
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: 241
Temperature: 1.000000
Total energy: -336.445182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.445182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.445182 (E_RNA)
where:
Base-Base interactions energy: -243.554
where: short stacking energy: -88.188
Base-Backbone interact. energy: -0.321
local terms energy: -92.569673
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -23.232
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: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -309.621696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.621696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.621696 (E_RNA)
where:
Base-Base interactions energy: -208.937
where: short stacking energy: -89.472
Base-Backbone interact. energy: -0.162
local terms energy: -100.523008
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -23.385
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: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -270.200176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.200176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.200176 (E_RNA)
where:
Base-Base interactions energy: -181.872
where: short stacking energy: -90.068
Base-Backbone interact. energy: -0.085
local terms energy: -88.243311
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -19.022
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: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -307.075388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.075388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.075388 (E_RNA)
where:
Base-Base interactions energy: -217.648
where: short stacking energy: -91.995
Base-Backbone interact. energy: -0.909
local terms energy: -88.518509
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -28.643
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: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -255.875611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.875611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.875611 (E_RNA)
where:
Base-Base interactions energy: -178.457
where: short stacking energy: -76.695
Base-Backbone interact. energy: -0.385
local terms energy: -77.033730
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -20.805
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: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -229.578665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.578665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.578665 (E_RNA)
where:
Base-Base interactions energy: -148.552
where: short stacking energy: -74.049
Base-Backbone interact. energy: -0.030
local terms energy: -80.997154
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -13.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -120.922912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.922912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.922912 (E_RNA)
where:
Base-Base interactions energy: -49.222
where: short stacking energy: -49.222
Base-Backbone interact. energy: -0.206
local terms energy: -71.494746
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -8.373
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -8.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -116.698775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.698775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.698775 (E_RNA)
where:
Base-Base interactions energy: -47.569
where: short stacking energy: -45.465
Base-Backbone interact. energy: -0.032
local terms energy: -69.098366
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -356.043528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.043528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.043528 (E_RNA)
where:
Base-Base interactions energy: -257.162
where: short stacking energy: -95.805
Base-Backbone interact. energy: -0.353
local terms energy: -98.528463
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -21.319
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: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -355.860918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.860918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.860918 (E_RNA)
where:
Base-Base interactions energy: -255.114
where: short stacking energy: -93.357
Base-Backbone interact. energy: -0.097
local terms energy: -100.649378
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -20.559
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: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -351.816336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.816336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.816336 (E_RNA)
where:
Base-Base interactions energy: -252.103
where: short stacking energy: -93.796
Base-Backbone interact. energy: -0.183
local terms energy: -99.530281
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -25.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -298.177913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.177913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.177913 (E_RNA)
where:
Base-Base interactions energy: -207.950
where: short stacking energy: -85.000
Base-Backbone interact. energy: -0.144
local terms energy: -90.083941
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -308.712182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.712182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.712182 (E_RNA)
where:
Base-Base interactions energy: -208.074
where: short stacking energy: -87.790
Base-Backbone interact. energy: -0.102
local terms energy: -100.536357
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -22.642
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -24.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -247.397742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.397742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.397742 (E_RNA)
where:
Base-Base interactions energy: -161.396
where: short stacking energy: -78.471
Base-Backbone interact. energy: -1.298
local terms energy: -84.703409
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -18.524
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: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -254.990188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.990188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.990188 (E_RNA)
where:
Base-Base interactions energy: -170.384
where: short stacking energy: -68.427
Base-Backbone interact. energy: -0.146
local terms energy: -84.460757
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -10.018
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: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -215.064693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.064693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.064693 (E_RNA)
where:
Base-Base interactions energy: -138.878
where: short stacking energy: -65.137
Base-Backbone interact. energy: -0.215
local terms energy: -75.971224
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -14.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -103.603917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.603917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.603917 (E_RNA)
where:
Base-Base interactions energy: -39.471
where: short stacking energy: -30.021
Base-Backbone interact. energy: -0.369
local terms energy: -63.763199
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -11.257
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: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -108.793855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.793855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.793855 (E_RNA)
where:
Base-Base interactions energy: -43.337
where: short stacking energy: -43.337
Base-Backbone interact. energy: -0.123
local terms energy: -65.333027
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -344.688501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.688501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.688501 (E_RNA)
where:
Base-Base interactions energy: -241.393
where: short stacking energy: -83.627
Base-Backbone interact. energy: -0.212
local terms energy: -103.083963
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -21.908
flat angles P-C4'-P energy: -16.219
tors. eta vs tors. theta energy: -23.982
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: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -363.162708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.162708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.162708 (E_RNA)
where:
Base-Base interactions energy: -257.996
where: short stacking energy: -95.940
Base-Backbone interact. energy: -0.084
local terms energy: -105.082560
where:
bonds (distance) C4'-P energy: -21.156
bonds (distance) P-C4' energy: -20.149
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -26.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -349.366212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.366212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.366212 (E_RNA)
where:
Base-Base interactions energy: -241.928
where: short stacking energy: -94.829
Base-Backbone interact. energy: -0.060
local terms energy: -107.378197
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -22.876
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -24.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -310.750538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.750538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.750538 (E_RNA)
where:
Base-Base interactions energy: -209.082
where: short stacking energy: -85.865
Base-Backbone interact. energy: -0.189
local terms energy: -101.479386
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -24.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -289.636577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.636577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.636577 (E_RNA)
where:
Base-Base interactions energy: -191.497
where: short stacking energy: -75.611
Base-Backbone interact. energy: -0.187
local terms energy: -97.952222
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -20.353
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: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -242.104144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.104144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.104144 (E_RNA)
where:
Base-Base interactions energy: -161.263
where: short stacking energy: -75.615
Base-Backbone interact. energy: -0.153
local terms energy: -80.688270
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -14.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -223.252100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.252100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.252100 (E_RNA)
where:
Base-Base interactions energy: -151.432
where: short stacking energy: -55.723
Base-Backbone interact. energy: -0.024
local terms energy: -71.796814
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -8.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -220.256735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.256735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.256735 (E_RNA)
where:
Base-Base interactions energy: -145.324
where: short stacking energy: -71.031
Base-Backbone interact. energy: -0.494
local terms energy: -74.438688
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -102.676060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.676060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.676060 (E_RNA)
where:
Base-Base interactions energy: -37.915
where: short stacking energy: -36.223
Base-Backbone interact. energy: -0.310
local terms energy: -64.450941
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -107.207244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.207244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.207244 (E_RNA)
where:
Base-Base interactions energy: -50.684
where: short stacking energy: -39.483
Base-Backbone interact. energy: -0.341
local terms energy: -56.182714
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: 2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -358.989493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.989493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.989493 (E_RNA)
where:
Base-Base interactions energy: -248.630
where: short stacking energy: -93.360
Base-Backbone interact. energy: -0.185
local terms energy: -110.174397
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: -26.584
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: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -350.064117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.064117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.064117 (E_RNA)
where:
Base-Base interactions energy: -245.810
where: short stacking energy: -90.127
Base-Backbone interact. energy: -0.473
local terms energy: -103.780405
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -23.281
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -20.378
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: 244
Temperature: 1.000000
Total energy: -355.778470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.778470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.778470 (E_RNA)
where:
Base-Base interactions energy: -260.273
where: short stacking energy: -100.008
Base-Backbone interact. energy: -0.092
local terms energy: -95.413422
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -308.548003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.548003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.548003 (E_RNA)
where:
Base-Base interactions energy: -206.696
where: short stacking energy: -91.602
Base-Backbone interact. energy: -0.474
local terms energy: -101.377494
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -26.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -302.229994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.229994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.229994 (E_RNA)
where:
Base-Base interactions energy: -203.845
where: short stacking energy: -81.708
Base-Backbone interact. energy: -0.223
local terms energy: -98.162082
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -19.564
tors. eta vs tors. theta energy: -23.327
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: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -265.199610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.199610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.199610 (E_RNA)
where:
Base-Base interactions energy: -177.207
where: short stacking energy: -73.783
Base-Backbone interact. energy: -0.325
local terms energy: -87.666843
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -19.202
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -14.167
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: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -223.542923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.542923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.542923 (E_RNA)
where:
Base-Base interactions energy: -132.855
where: short stacking energy: -67.046
Base-Backbone interact. energy: -1.014
local terms energy: -89.673259
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -192.591171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.591171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.591171 (E_RNA)
where:
Base-Base interactions energy: -127.998
where: short stacking energy: -58.538
Base-Backbone interact. energy: -0.385
local terms energy: -64.209031
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -4.668
tors. eta vs tors. theta energy: -7.332
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: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -106.043848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.043848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.043848 (E_RNA)
where:
Base-Base interactions energy: -44.572
where: short stacking energy: -43.039
Base-Backbone interact. energy: -0.673
local terms energy: -60.799205
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -118.295854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.295854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.295854 (E_RNA)
where:
Base-Base interactions energy: -52.272
where: short stacking energy: -42.225
Base-Backbone interact. energy: -0.437
local terms energy: -65.586479
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -8.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -354.244467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.244467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.244467 (E_RNA)
where:
Base-Base interactions energy: -250.086
where: short stacking energy: -96.888
Base-Backbone interact. energy: -0.069
local terms energy: -104.089616
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -23.536
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -29.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -352.981564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.981564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.981564 (E_RNA)
where:
Base-Base interactions energy: -246.796
where: short stacking energy: -88.527
Base-Backbone interact. energy: -0.084
local terms energy: -106.101305
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -23.524
flat angles P-C4'-P energy: -18.020
tors. eta vs tors. theta energy: -22.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -350.774626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.774626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.774626 (E_RNA)
where:
Base-Base interactions energy: -257.213
where: short stacking energy: -92.788
Base-Backbone interact. energy: -0.235
local terms energy: -93.326045
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -13.838
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: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -310.704918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.704918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.704918 (E_RNA)
where:
Base-Base interactions energy: -215.191
where: short stacking energy: -93.139
Base-Backbone interact. energy: -0.623
local terms energy: -94.890826
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -19.590
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -23.564
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: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -313.311788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.311788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.311788 (E_RNA)
where:
Base-Base interactions energy: -215.149
where: short stacking energy: -93.352
Base-Backbone interact. energy: -0.532
local terms energy: -97.630717
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -26.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -244.056617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.056617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.056617 (E_RNA)
where:
Base-Base interactions energy: -153.128
where: short stacking energy: -86.577
Base-Backbone interact. energy: 0.020
local terms energy: -90.949135
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -22.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -224.877073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.877073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.877073 (E_RNA)
where:
Base-Base interactions energy: -147.213
where: short stacking energy: -77.939
Base-Backbone interact. energy: -0.554
local terms energy: -77.109840
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -11.230
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: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -224.052273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.052273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.052273 (E_RNA)
where:
Base-Base interactions energy: -142.840
where: short stacking energy: -67.993
Base-Backbone interact. energy: -0.156
local terms energy: -81.056362
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -119.116832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.116832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.116832 (E_RNA)
where:
Base-Base interactions energy: -47.564
where: short stacking energy: -47.005
Base-Backbone interact. energy: -0.125
local terms energy: -71.427674
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -21.074
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -101.855119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.855119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.855119 (E_RNA)
where:
Base-Base interactions energy: -41.551
where: short stacking energy: -34.465
Base-Backbone interact. energy: 2.722
local terms energy: -63.025504
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -353.613075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.613075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.613075 (E_RNA)
where:
Base-Base interactions energy: -251.012
where: short stacking energy: -96.601
Base-Backbone interact. energy: -0.155
local terms energy: -102.446752
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -23.289
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -22.819
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: 10
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -359.957632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.957632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.957632 (E_RNA)
where:
Base-Base interactions energy: -259.245
where: short stacking energy: -99.196
Base-Backbone interact. energy: -0.051
local terms energy: -100.662001
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -24.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -343.025369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.025369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.025369 (E_RNA)
where:
Base-Base interactions energy: -252.617
where: short stacking energy: -93.477
Base-Backbone interact. energy: -0.224
local terms energy: -90.184595
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -19.227
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -302.931321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.931321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.931321 (E_RNA)
where:
Base-Base interactions energy: -199.573
where: short stacking energy: -84.960
Base-Backbone interact. energy: -0.294
local terms energy: -103.063963
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -24.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -307.302206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.302206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.302206 (E_RNA)
where:
Base-Base interactions energy: -211.358
where: short stacking energy: -88.760
Base-Backbone interact. energy: -0.335
local terms energy: -95.609488
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -24.335
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: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -238.279616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.279616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.279616 (E_RNA)
where:
Base-Base interactions energy: -148.869
where: short stacking energy: -75.444
Base-Backbone interact. energy: 0.313
local terms energy: -89.723389
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -226.714138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.714138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.714138 (E_RNA)
where:
Base-Base interactions energy: -140.680
where: short stacking energy: -68.115
Base-Backbone interact. energy: -0.003
local terms energy: -86.030976
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -187.823318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.823318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.823318 (E_RNA)
where:
Base-Base interactions energy: -113.503
where: short stacking energy: -55.118
Base-Backbone interact. energy: 2.519
local terms energy: -76.839535
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -11.298
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: 246
Temperature: 1.300000
Total energy: -113.379254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.379254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.379254 (E_RNA)
where:
Base-Base interactions energy: -39.159
where: short stacking energy: -37.190
Base-Backbone interact. energy: -0.237
local terms energy: -73.984064
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -111.456500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.456500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.456500 (E_RNA)
where:
Base-Base interactions energy: -46.415
where: short stacking energy: -32.608
Base-Backbone interact. energy: -0.341
local terms energy: -64.701221
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -360.325728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.325728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.325728 (E_RNA)
where:
Base-Base interactions energy: -253.834
where: short stacking energy: -100.213
Base-Backbone interact. energy: -0.100
local terms energy: -106.391810
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -21.531
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -23.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -349.440472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.440472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.440472 (E_RNA)
where:
Base-Base interactions energy: -251.728
where: short stacking energy: -90.042
Base-Backbone interact. energy: -0.245
local terms energy: -97.467422
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -25.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -349.543338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.543338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.543338 (E_RNA)
where:
Base-Base interactions energy: -243.986
where: short stacking energy: -90.498
Base-Backbone interact. energy: -0.175
local terms energy: -105.382146
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -26.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -313.022147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.022147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.022147 (E_RNA)
where:
Base-Base interactions energy: -208.738
where: short stacking energy: -91.055
Base-Backbone interact. energy: -0.887
local terms energy: -103.397079
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -29.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -304.676220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.676220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.676220 (E_RNA)
where:
Base-Base interactions energy: -205.582
where: short stacking energy: -88.221
Base-Backbone interact. energy: -0.073
local terms energy: -99.021525
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -23.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -235.423650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.423650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.423650 (E_RNA)
where:
Base-Base interactions energy: -143.676
where: short stacking energy: -66.346
Base-Backbone interact. energy: -0.328
local terms energy: -91.419500
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -225.634323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.634323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.634323 (E_RNA)
where:
Base-Base interactions energy: -146.136
where: short stacking energy: -72.458
Base-Backbone interact. energy: -0.953
local terms energy: -78.544964
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -183.822440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.822440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.822440 (E_RNA)
where:
Base-Base interactions energy: -105.871
where: short stacking energy: -60.077
Base-Backbone interact. energy: -0.344
local terms energy: -77.606949
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -11.557
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: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -109.548932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.548932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.548932 (E_RNA)
where:
Base-Base interactions energy: -40.913
where: short stacking energy: -38.875
Base-Backbone interact. energy: -0.111
local terms energy: -68.524803
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -5.353
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: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -105.284690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.284690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.284690 (E_RNA)
where:
Base-Base interactions energy: -44.059
where: short stacking energy: -15.513
Base-Backbone interact. energy: -0.943
local terms energy: -60.283372
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: 3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -353.221301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.221301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.221301 (E_RNA)
where:
Base-Base interactions energy: -260.915
where: short stacking energy: -99.802
Base-Backbone interact. energy: -0.202
local terms energy: -92.103973
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -345.882854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.882854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.882854 (E_RNA)
where:
Base-Base interactions energy: -247.064
where: short stacking energy: -92.085
Base-Backbone interact. energy: -0.189
local terms energy: -98.630545
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -22.096
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: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -352.590201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.590201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.590201 (E_RNA)
where:
Base-Base interactions energy: -249.254
where: short stacking energy: -89.616
Base-Backbone interact. energy: -0.679
local terms energy: -102.656886
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -19.217
tors. eta vs tors. theta energy: -22.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -319.293193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.293193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.293193 (E_RNA)
where:
Base-Base interactions energy: -219.786
where: short stacking energy: -95.224
Base-Backbone interact. energy: 0.100
local terms energy: -99.607513
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -27.949
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: 248
Temperature: 1.100000
Total energy: -304.330335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.330335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.330335 (E_RNA)
where:
Base-Base interactions energy: -208.507
where: short stacking energy: -94.267
Base-Backbone interact. energy: -0.009
local terms energy: -95.814542
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -21.677
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: 248
Temperature: 1.150000
Total energy: -253.234043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.234043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.234043 (E_RNA)
where:
Base-Base interactions energy: -161.733
where: short stacking energy: -74.247
Base-Backbone interact. energy: -0.077
local terms energy: -91.424560
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -21.778
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -15.803
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: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -230.149774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.149774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.149774 (E_RNA)
where:
Base-Base interactions energy: -138.078
where: short stacking energy: -73.013
Base-Backbone interact. energy: -0.008
local terms energy: -92.063543
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -23.882
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: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -176.197385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.197385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.197385 (E_RNA)
where:
Base-Base interactions energy: -100.818
where: short stacking energy: -57.296
Base-Backbone interact. energy: -0.535
local terms energy: -74.843858
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -11.087
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: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -120.771801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.771801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.771801 (E_RNA)
where:
Base-Base interactions energy: -63.976
where: short stacking energy: -38.977
Base-Backbone interact. energy: -1.603
local terms energy: -55.193049
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -9.333
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: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -112.431947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.431947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.431947 (E_RNA)
where:
Base-Base interactions energy: -46.511
where: short stacking energy: -46.511
Base-Backbone interact. energy: -1.028
local terms energy: -64.892742
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -355.521884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.521884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.521884 (E_RNA)
where:
Base-Base interactions energy: -248.858
where: short stacking energy: -99.204
Base-Backbone interact. energy: -0.798
local terms energy: -105.865531
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -22.920
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: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -362.733902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.733902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.733902 (E_RNA)
where:
Base-Base interactions energy: -254.969
where: short stacking energy: -97.859
Base-Backbone interact. energy: -0.113
local terms energy: -107.651776
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -22.258
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -28.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -347.524225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.524225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.524225 (E_RNA)
where:
Base-Base interactions energy: -240.890
where: short stacking energy: -96.582
Base-Backbone interact. energy: -0.083
local terms energy: -106.551425
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -23.783
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -26.946
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: 249
Temperature: 1.050000
Total energy: -313.903165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.903165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.903165 (E_RNA)
where:
Base-Base interactions energy: -217.480
where: short stacking energy: -91.786
Base-Backbone interact. energy: -0.033
local terms energy: -96.390293
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -24.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -299.026308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.026308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.026308 (E_RNA)
where:
Base-Base interactions energy: -209.224
where: short stacking energy: -95.784
Base-Backbone interact. energy: -0.265
local terms energy: -89.536535
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -23.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -240.284125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.284125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.284125 (E_RNA)
where:
Base-Base interactions energy: -153.986
where: short stacking energy: -64.871
Base-Backbone interact. energy: -1.068
local terms energy: -85.230167
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -21.312
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -230.293849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.293849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.293849 (E_RNA)
where:
Base-Base interactions energy: -151.137
where: short stacking energy: -79.274
Base-Backbone interact. energy: -0.311
local terms energy: -78.846200
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -176.824552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.824552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.824552 (E_RNA)
where:
Base-Base interactions energy: -106.982
where: short stacking energy: -65.831
Base-Backbone interact. energy: 0.435
local terms energy: -70.276982
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -11.716
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: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -108.363468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.363468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.363468 (E_RNA)
where:
Base-Base interactions energy: -50.299
where: short stacking energy: -34.284
Base-Backbone interact. energy: -0.413
local terms energy: -57.651219
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: 2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -105.953461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.953461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.953461 (E_RNA)
where:
Base-Base interactions energy: -51.508
where: short stacking energy: -42.358
Base-Backbone interact. energy: -0.235
local terms energy: -54.211005
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -8.991
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -362.118563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.118563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.118563 (E_RNA)
where:
Base-Base interactions energy: -255.226
where: short stacking energy: -100.144
Base-Backbone interact. energy: -0.680
local terms energy: -106.213084
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -24.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -355.783631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.783631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.783631 (E_RNA)
where:
Base-Base interactions energy: -247.975
where: short stacking energy: -93.235
Base-Backbone interact. energy: -0.101
local terms energy: -107.708162
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -27.233
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: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -335.035604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.035604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.035604 (E_RNA)
where:
Base-Base interactions energy: -229.743
where: short stacking energy: -94.065
Base-Backbone interact. energy: -0.003
local terms energy: -105.290146
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -27.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -322.993731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.993731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.993731 (E_RNA)
where:
Base-Base interactions energy: -228.424
where: short stacking energy: -94.134
Base-Backbone interact. energy: -0.156
local terms energy: -94.413633
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -307.385493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.385493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.385493 (E_RNA)
where:
Base-Base interactions energy: -207.017
where: short stacking energy: -80.868
Base-Backbone interact. energy: -0.257
local terms energy: -100.112139
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -25.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -249.233887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.233887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.233887 (E_RNA)
where:
Base-Base interactions energy: -169.420
where: short stacking energy: -68.524
Base-Backbone interact. energy: 2.208
local terms energy: -82.021887
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -20.319
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -184.193928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.193928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.193928 (E_RNA)
where:
Base-Base interactions energy: -101.195
where: short stacking energy: -55.808
Base-Backbone interact. energy: -3.593
local terms energy: -79.405039
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -10.577
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: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -226.494941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.494941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.494941 (E_RNA)
where:
Base-Base interactions energy: -155.379
where: short stacking energy: -70.578
Base-Backbone interact. energy: 1.247
local terms energy: -72.362978
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -14.970
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: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -111.348911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.348911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.348911 (E_RNA)
where:
Base-Base interactions energy: -50.029
where: short stacking energy: -29.784
Base-Backbone interact. energy: -0.378
local terms energy: -60.942109
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: 0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -106.098667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.098667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.098667 (E_RNA)
where:
Base-Base interactions energy: -36.016
where: short stacking energy: -36.016
Base-Backbone interact. energy: -0.227
local terms energy: -69.855232
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -10.828
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: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -365.401998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.401998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.401998 (E_RNA)
where:
Base-Base interactions energy: -260.236
where: short stacking energy: -98.188
Base-Backbone interact. energy: -0.123
local terms energy: -105.043120
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -26.245
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: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -343.666345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.666345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.666345 (E_RNA)
where:
Base-Base interactions energy: -238.226
where: short stacking energy: -107.441
Base-Backbone interact. energy: -0.011
local terms energy: -105.428457
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -30.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -345.002781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.002781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.002781 (E_RNA)
where:
Base-Base interactions energy: -248.802
where: short stacking energy: -96.663
Base-Backbone interact. energy: -0.152
local terms energy: -96.049108
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -23.154
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -23.275
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: 251
Temperature: 1.050000
Total energy: -311.578514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.578514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.578514 (E_RNA)
where:
Base-Base interactions energy: -218.178
where: short stacking energy: -96.710
Base-Backbone interact. energy: -0.093
local terms energy: -93.307152
where:
bonds (distance) C4'-P energy: -19.123
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -23.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -327.483773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.483773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.483773 (E_RNA)
where:
Base-Base interactions energy: -227.855
where: short stacking energy: -91.847
Base-Backbone interact. energy: -0.234
local terms energy: -99.394725
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -23.006
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -24.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -199.475230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.475230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.475230 (E_RNA)
where:
Base-Base interactions energy: -116.990
where: short stacking energy: -56.895
Base-Backbone interact. energy: -0.732
local terms energy: -81.752542
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -190.851871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.851871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.851871 (E_RNA)
where:
Base-Base interactions energy: -112.138
where: short stacking energy: -56.002
Base-Backbone interact. energy: -0.330
local terms energy: -78.384615
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -11.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -221.941831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.941831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.941831 (E_RNA)
where:
Base-Base interactions energy: -144.243
where: short stacking energy: -66.495
Base-Backbone interact. energy: -0.533
local terms energy: -77.165998
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -12.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -126.138928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.138928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.138928 (E_RNA)
where:
Base-Base interactions energy: -47.774
where: short stacking energy: -47.640
Base-Backbone interact. energy: -0.175
local terms energy: -78.189946
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -9.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -104.616650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.616650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.616650 (E_RNA)
where:
Base-Base interactions energy: -40.770
where: short stacking energy: -26.918
Base-Backbone interact. energy: 0.082
local terms energy: -63.928697
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -8.278
flat angles P-C4'-P energy: -15.539
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: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -360.584401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.584401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.584401 (E_RNA)
where:
Base-Base interactions energy: -256.544
where: short stacking energy: -97.065
Base-Backbone interact. energy: -0.147
local terms energy: -103.893443
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -28.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -346.259535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.259535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.259535 (E_RNA)
where:
Base-Base interactions energy: -235.588
where: short stacking energy: -94.151
Base-Backbone interact. energy: -0.001
local terms energy: -110.669895
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -21.569
tors. eta vs tors. theta energy: -25.627
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: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -347.118064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.118064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.118064 (E_RNA)
where:
Base-Base interactions energy: -249.865
where: short stacking energy: -93.130
Base-Backbone interact. energy: -0.174
local terms energy: -97.079297
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -21.900
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -23.263
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: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -300.398611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.398611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.398611 (E_RNA)
where:
Base-Base interactions energy: -205.466
where: short stacking energy: -91.125
Base-Backbone interact. energy: -0.078
local terms energy: -94.854772
where:
bonds (distance) C4'-P energy: -20.709
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -21.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -311.689454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.689454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.689454 (E_RNA)
where:
Base-Base interactions energy: -218.598
where: short stacking energy: -84.857
Base-Backbone interact. energy: -0.123
local terms energy: -92.968212
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -24.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -197.603020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.603020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.603020 (E_RNA)
where:
Base-Base interactions energy: -115.742
where: short stacking energy: -74.829
Base-Backbone interact. energy: -0.099
local terms energy: -81.762171
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -13.989
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: 9
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -231.135938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.135938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.135938 (E_RNA)
where:
Base-Base interactions energy: -142.088
where: short stacking energy: -72.091
Base-Backbone interact. energy: -0.108
local terms energy: -88.940240
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -14.680
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: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -170.633289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.633289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.633289 (E_RNA)
where:
Base-Base interactions energy: -101.565
where: short stacking energy: -42.922
Base-Backbone interact. energy: -0.166
local terms energy: -68.902277
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -9.914
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: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -117.652143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.652143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.652143 (E_RNA)
where:
Base-Base interactions energy: -50.835
where: short stacking energy: -48.294
Base-Backbone interact. energy: 2.779
local terms energy: -69.596760
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -100.056119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.056119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.056119 (E_RNA)
where:
Base-Base interactions energy: -36.804
where: short stacking energy: -28.613
Base-Backbone interact. energy: 2.480
local terms energy: -65.732214
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: 2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -355.609795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.609795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.609795 (E_RNA)
where:
Base-Base interactions energy: -249.827
where: short stacking energy: -93.045
Base-Backbone interact. energy: -0.204
local terms energy: -105.578620
where:
bonds (distance) C4'-P energy: -21.116
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -21.979
flat angles P-C4'-P energy: -20.078
tors. eta vs tors. theta energy: -20.553
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: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -360.518695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.518695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.518695 (E_RNA)
where:
Base-Base interactions energy: -251.762
where: short stacking energy: -94.800
Base-Backbone interact. energy: -0.794
local terms energy: -107.962639
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -21.439
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -28.050
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: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -342.721789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.721789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.721789 (E_RNA)
where:
Base-Base interactions energy: -237.766
where: short stacking energy: -92.835
Base-Backbone interact. energy: -0.876
local terms energy: -104.080366
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -28.918
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: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -306.515154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.515154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.515154 (E_RNA)
where:
Base-Base interactions energy: -215.189
where: short stacking energy: -93.576
Base-Backbone interact. energy: 0.245
local terms energy: -91.571389
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -21.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -299.313131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.313131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.313131 (E_RNA)
where:
Base-Base interactions energy: -205.007
where: short stacking energy: -96.649
Base-Backbone interact. energy: -0.015
local terms energy: -94.290774
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -26.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -233.784340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.784340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.784340 (E_RNA)
where:
Base-Base interactions energy: -142.718
where: short stacking energy: -72.303
Base-Backbone interact. energy: -0.413
local terms energy: -90.653108
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -188.572057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.572057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.572057 (E_RNA)
where:
Base-Base interactions energy: -114.012
where: short stacking energy: -60.270
Base-Backbone interact. energy: 0.946
local terms energy: -75.506874
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -12.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -172.473073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.473073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.473073 (E_RNA)
where:
Base-Base interactions energy: -97.600
where: short stacking energy: -34.121
Base-Backbone interact. energy: -0.536
local terms energy: -74.337545
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -112.101008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.101008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.101008 (E_RNA)
where:
Base-Base interactions energy: -50.174
where: short stacking energy: -38.252
Base-Backbone interact. energy: 0.257
local terms energy: -62.183674
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -1.136
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: 253
Temperature: 1.350000
Total energy: -102.122045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.122045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.122045 (E_RNA)
where:
Base-Base interactions energy: -44.318
where: short stacking energy: -42.384
Base-Backbone interact. energy: -0.139
local terms energy: -57.665603
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -5.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -358.621815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.621815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.621815 (E_RNA)
where:
Base-Base interactions energy: -257.793
where: short stacking energy: -95.191
Base-Backbone interact. energy: -0.020
local terms energy: -100.809096
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -20.811
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -24.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -356.060354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.060354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.060354 (E_RNA)
where:
Base-Base interactions energy: -253.678
where: short stacking energy: -101.148
Base-Backbone interact. energy: -0.095
local terms energy: -102.287550
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -22.057
flat angles P-C4'-P energy: -17.731
tors. eta vs tors. theta energy: -24.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -337.829876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.829876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.829876 (E_RNA)
where:
Base-Base interactions energy: -233.822
where: short stacking energy: -98.698
Base-Backbone interact. energy: -0.873
local terms energy: -103.135039
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -17.737
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -299.952951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.952951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.952951 (E_RNA)
where:
Base-Base interactions energy: -208.578
where: short stacking energy: -95.259
Base-Backbone interact. energy: -0.050
local terms energy: -91.325005
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -12.715
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: 5, replica: 9
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -244.113951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.113951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.113951 (E_RNA)
where:
Base-Base interactions energy: -152.259
where: short stacking energy: -70.124
Base-Backbone interact. energy: 0.133
local terms energy: -91.988196
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -294.049768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.049768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.049768 (E_RNA)
where:
Base-Base interactions energy: -207.682
where: short stacking energy: -86.316
Base-Backbone interact. energy: -0.131
local terms energy: -86.236457
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -24.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -183.343946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.343946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.343946 (E_RNA)
where:
Base-Base interactions energy: -106.369
where: short stacking energy: -59.534
Base-Backbone interact. energy: -2.484
local terms energy: -74.491156
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -170.143794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.143794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.143794 (E_RNA)
where:
Base-Base interactions energy: -98.971
where: short stacking energy: -59.602
Base-Backbone interact. energy: 2.174
local terms energy: -73.347340
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -22.581
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -109.042363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.042363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.042363 (E_RNA)
where:
Base-Base interactions energy: -48.114
where: short stacking energy: -46.446
Base-Backbone interact. energy: -0.158
local terms energy: -60.770316
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -98.369502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.369502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.369502 (E_RNA)
where:
Base-Base interactions energy: -32.375
where: short stacking energy: -26.587
Base-Backbone interact. energy: -0.288
local terms energy: -65.706987
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -355.026952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.026952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.026952 (E_RNA)
where:
Base-Base interactions energy: -250.078
where: short stacking energy: -95.473
Base-Backbone interact. energy: -0.936
local terms energy: -104.012830
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -344.075216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.075216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.075216 (E_RNA)
where:
Base-Base interactions energy: -238.066
where: short stacking energy: -107.519
Base-Backbone interact. energy: -0.105
local terms energy: -105.904420
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -31.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -362.133187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.133187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.133187 (E_RNA)
where:
Base-Base interactions energy: -257.715
where: short stacking energy: -98.191
Base-Backbone interact. energy: -0.791
local terms energy: -103.627665
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -24.523
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: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -303.579109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.579109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.579109 (E_RNA)
where:
Base-Base interactions energy: -206.873
where: short stacking energy: -86.611
Base-Backbone interact. energy: 1.148
local terms energy: -97.854462
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -244.659988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.659988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.659988 (E_RNA)
where:
Base-Base interactions energy: -152.647
where: short stacking energy: -87.594
Base-Backbone interact. energy: -0.393
local terms energy: -91.619345
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -309.032916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.032916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.032916 (E_RNA)
where:
Base-Base interactions energy: -210.374
where: short stacking energy: -94.981
Base-Backbone interact. energy: -0.041
local terms energy: -98.618275
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -24.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -181.118863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.118863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.118863 (E_RNA)
where:
Base-Base interactions energy: -103.650
where: short stacking energy: -54.580
Base-Backbone interact. energy: -0.341
local terms energy: -77.127434
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -14.101
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: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -155.467344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.467344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.467344 (E_RNA)
where:
Base-Base interactions energy: -89.479
where: short stacking energy: -37.664
Base-Backbone interact. energy: -0.171
local terms energy: -65.816993
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -107.364402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.364402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.364402 (E_RNA)
where:
Base-Base interactions energy: -37.204
where: short stacking energy: -35.593
Base-Backbone interact. energy: -0.526
local terms energy: -69.634248
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -20.216
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -113.008145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.008145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.008145 (E_RNA)
where:
Base-Base interactions energy: -54.263
where: short stacking energy: -36.377
Base-Backbone interact. energy: -0.115
local terms energy: -58.629510
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.900
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: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -352.621035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.621035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.621035 (E_RNA)
where:
Base-Base interactions energy: -246.174
where: short stacking energy: -109.150
Base-Backbone interact. energy: -0.005
local terms energy: -106.442589
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -29.433
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: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -347.816416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.816416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.816416 (E_RNA)
where:
Base-Base interactions energy: -243.465
where: short stacking energy: -91.064
Base-Backbone interact. energy: -0.345
local terms energy: -104.006258
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -23.559
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: 3, replica: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -346.621204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.621204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.621204 (E_RNA)
where:
Base-Base interactions energy: -247.885
where: short stacking energy: -97.527
Base-Backbone interact. energy: 0.849
local terms energy: -99.584768
where:
bonds (distance) C4'-P energy: -23.718
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -21.005
flat angles P-C4'-P energy: -16.674
tors. eta vs tors. theta energy: -22.276
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: 256
Temperature: 1.050000
Total energy: -303.404357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.404357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.404357 (E_RNA)
where:
Base-Base interactions energy: -206.128
where: short stacking energy: -95.181
Base-Backbone interact. energy: -0.457
local terms energy: -96.819297
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -23.722
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: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -302.235539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.235539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.235539 (E_RNA)
where:
Base-Base interactions energy: -211.180
where: short stacking energy: -92.909
Base-Backbone interact. energy: -0.060
local terms energy: -90.995756
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -25.354
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: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -258.508886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.508886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.508886 (E_RNA)
where:
Base-Base interactions energy: -156.202
where: short stacking energy: -85.681
Base-Backbone interact. energy: -0.261
local terms energy: -102.045650
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -24.560
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: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -171.956817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.956817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.956817 (E_RNA)
where:
Base-Base interactions energy: -102.656
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.047
local terms energy: -69.254398
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -11.578
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: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -192.084995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.084995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.084995 (E_RNA)
where:
Base-Base interactions energy: -119.330
where: short stacking energy: -53.022
Base-Backbone interact. energy: -0.063
local terms energy: -72.691935
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -101.892793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.892793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.892793 (E_RNA)
where:
Base-Base interactions energy: -41.362
where: short stacking energy: -18.365
Base-Backbone interact. energy: 1.594
local terms energy: -62.124451
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -0.167
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: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -108.461443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.461443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.461443 (E_RNA)
where:
Base-Base interactions energy: -59.213
where: short stacking energy: -38.366
Base-Backbone interact. energy: -0.491
local terms energy: -48.757447
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -0.241
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -346.148344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.148344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.148344 (E_RNA)
where:
Base-Base interactions energy: -249.907
where: short stacking energy: -99.292
Base-Backbone interact. energy: -0.106
local terms energy: -96.135085
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -26.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -351.057186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.057186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.057186 (E_RNA)
where:
Base-Base interactions energy: -248.597
where: short stacking energy: -98.783
Base-Backbone interact. energy: -0.317
local terms energy: -102.142879
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -24.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -337.287232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.287232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.287232 (E_RNA)
where:
Base-Base interactions energy: -242.677
where: short stacking energy: -94.537
Base-Backbone interact. energy: -0.229
local terms energy: -94.381463
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -24.803
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -21.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -322.485162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.485162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.485162 (E_RNA)
where:
Base-Base interactions energy: -230.936
where: short stacking energy: -99.787
Base-Backbone interact. energy: -0.064
local terms energy: -91.485029
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -22.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -312.879269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.879269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.879269 (E_RNA)
where:
Base-Base interactions energy: -214.747
where: short stacking energy: -90.126
Base-Backbone interact. energy: -0.057
local terms energy: -98.074850
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -22.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -230.424058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.424058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.424058 (E_RNA)
where:
Base-Base interactions energy: -147.353
where: short stacking energy: -67.262
Base-Backbone interact. energy: 0.374
local terms energy: -83.445138
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -187.926883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.926883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.926883 (E_RNA)
where:
Base-Base interactions energy: -103.032
where: short stacking energy: -55.915
Base-Backbone interact. energy: -0.839
local terms energy: -84.056207
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -11.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -138.195366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.195366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.195366 (E_RNA)
where:
Base-Base interactions energy: -76.281
where: short stacking energy: -29.692
Base-Backbone interact. energy: -0.880
local terms energy: -61.034088
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -22.264
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -1.208
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: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -203.651010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.651010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.651010 (E_RNA)
where:
Base-Base interactions energy: -126.736
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.118
local terms energy: -76.796447
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -13.809
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: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -122.795571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.795571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.795571 (E_RNA)
where:
Base-Base interactions energy: -41.570
where: short stacking energy: -41.570
Base-Backbone interact. energy: -0.123
local terms energy: -81.103134
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -347.474517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.474517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.474517 (E_RNA)
where:
Base-Base interactions energy: -242.775
where: short stacking energy: -101.163
Base-Backbone interact. energy: -0.011
local terms energy: -104.687969
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -23.415
flat angles P-C4'-P energy: -18.056
tors. eta vs tors. theta energy: -25.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -349.174824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.174824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.174824 (E_RNA)
where:
Base-Base interactions energy: -252.245
where: short stacking energy: -99.776
Base-Backbone interact. energy: -0.323
local terms energy: -96.607025
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -24.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -340.309414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.309414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.309414 (E_RNA)
where:
Base-Base interactions energy: -239.036
where: short stacking energy: -96.548
Base-Backbone interact. energy: 0.392
local terms energy: -101.665798
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -22.835
flat angles C4'-P-C4' energy: -24.225
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -19.454
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: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -340.193046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.193046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.193046 (E_RNA)
where:
Base-Base interactions energy: -244.205
where: short stacking energy: -102.277
Base-Backbone interact. energy: -0.776
local terms energy: -95.212462
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -29.858
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: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -292.826110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.826110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.826110 (E_RNA)
where:
Base-Base interactions energy: -195.005
where: short stacking energy: -95.287
Base-Backbone interact. energy: -0.001
local terms energy: -97.820095
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -28.390
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: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -238.097274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.097274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.097274 (E_RNA)
where:
Base-Base interactions energy: -147.534
where: short stacking energy: -74.051
Base-Backbone interact. energy: 1.843
local terms energy: -92.406230
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -20.383
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: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -203.908805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.908805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.908805 (E_RNA)
where:
Base-Base interactions energy: -118.488
where: short stacking energy: -68.282
Base-Backbone interact. energy: -0.230
local terms energy: -85.190195
where:
bonds (distance) C4'-P energy: -22.199
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -13.081
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: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -140.209520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.209520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.209520 (E_RNA)
where:
Base-Base interactions energy: -79.207
where: short stacking energy: -38.309
Base-Backbone interact. energy: 1.342
local terms energy: -62.343581
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: 3.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -220.465414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.465414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.465414 (E_RNA)
where:
Base-Base interactions energy: -136.634
where: short stacking energy: -75.788
Base-Backbone interact. energy: -0.021
local terms energy: -83.810799
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -21.255
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -10.092
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: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -106.376850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.376850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.376850 (E_RNA)
where:
Base-Base interactions energy: -38.807
where: short stacking energy: -38.268
Base-Backbone interact. energy: -0.080
local terms energy: -67.489676
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -336.923627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.923627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.923627 (E_RNA)
where:
Base-Base interactions energy: -235.382
where: short stacking energy: -98.423
Base-Backbone interact. energy: 0.437
local terms energy: -101.978213
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -19.518
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: 2, replica: 10
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -351.876931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.876931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.876931 (E_RNA)
where:
Base-Base interactions energy: -249.966
where: short stacking energy: -99.611
Base-Backbone interact. energy: -0.083
local terms energy: -101.827928
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -24.431
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: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -334.513842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.513842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.513842 (E_RNA)
where:
Base-Base interactions energy: -238.931
where: short stacking energy: -93.728
Base-Backbone interact. energy: -0.003
local terms energy: -95.579880
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -26.940
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: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -331.739664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.739664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.739664 (E_RNA)
where:
Base-Base interactions energy: -231.433
where: short stacking energy: -84.437
Base-Backbone interact. energy: -0.320
local terms energy: -99.987643
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -21.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -306.337699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.337699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.337699 (E_RNA)
where:
Base-Base interactions energy: -202.053
where: short stacking energy: -85.529
Base-Backbone interact. energy: -1.450
local terms energy: -102.834737
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -24.980
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: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -224.033395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.033395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.033395 (E_RNA)
where:
Base-Base interactions energy: -143.137
where: short stacking energy: -62.269
Base-Backbone interact. energy: -0.768
local terms energy: -80.128477
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -12.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -204.615181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.615181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.615181 (E_RNA)
where:
Base-Base interactions energy: -114.823
where: short stacking energy: -70.320
Base-Backbone interact. energy: -0.127
local terms energy: -89.665454
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -227.414159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.414159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.414159 (E_RNA)
where:
Base-Base interactions energy: -139.064
where: short stacking energy: -77.417
Base-Backbone interact. energy: -0.149
local terms energy: -88.201387
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -19.989
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: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -175.590258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.590258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.590258 (E_RNA)
where:
Base-Base interactions energy: -118.564
where: short stacking energy: -48.355
Base-Backbone interact. energy: -0.496
local terms energy: -56.530957
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -3.518
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -100.870333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.870333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.870333 (E_RNA)
where:
Base-Base interactions energy: -38.636
where: short stacking energy: -31.026
Base-Backbone interact. energy: 1.278
local terms energy: -63.512911
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -362.353351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.353351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.353351 (E_RNA)
where:
Base-Base interactions energy: -255.644
where: short stacking energy: -93.189
Base-Backbone interact. energy: -0.437
local terms energy: -106.272242
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -23.399
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -26.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -337.775897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.775897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.775897 (E_RNA)
where:
Base-Base interactions energy: -235.783
where: short stacking energy: -97.825
Base-Backbone interact. energy: 1.951
local terms energy: -103.943953
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -24.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -335.720412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.720412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.720412 (E_RNA)
where:
Base-Base interactions energy: -240.032
where: short stacking energy: -100.147
Base-Backbone interact. energy: -0.143
local terms energy: -95.545582
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -30.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -324.199047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.199047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.199047 (E_RNA)
where:
Base-Base interactions energy: -229.292
where: short stacking energy: -98.534
Base-Backbone interact. energy: -0.078
local terms energy: -94.828841
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -23.083
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: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -319.273624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.273624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.273624 (E_RNA)
where:
Base-Base interactions energy: -215.498
where: short stacking energy: -97.824
Base-Backbone interact. energy: -0.014
local terms energy: -103.761701
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -23.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -242.409632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.409632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.409632 (E_RNA)
where:
Base-Base interactions energy: -152.213
where: short stacking energy: -74.885
Base-Backbone interact. energy: -0.274
local terms energy: -89.922731
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -22.325
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -236.144382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.144382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.144382 (E_RNA)
where:
Base-Base interactions energy: -150.838
where: short stacking energy: -69.661
Base-Backbone interact. energy: -0.524
local terms energy: -84.781972
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -183.488710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.488710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.488710 (E_RNA)
where:
Base-Base interactions energy: -100.849
where: short stacking energy: -47.769
Base-Backbone interact. energy: 0.384
local terms energy: -83.023208
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -12.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -167.155873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.155873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.155873 (E_RNA)
where:
Base-Base interactions energy: -95.508
where: short stacking energy: -48.003
Base-Backbone interact. energy: -1.120
local terms energy: -70.528377
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -10.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -101.968631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.968631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.968631 (E_RNA)
where:
Base-Base interactions energy: -41.575
where: short stacking energy: -34.883
Base-Backbone interact. energy: -0.190
local terms energy: -60.204315
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -353.765394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.765394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.765394 (E_RNA)
where:
Base-Base interactions energy: -254.750
where: short stacking energy: -96.206
Base-Backbone interact. energy: -0.430
local terms energy: -98.585475
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -23.671
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -26.625
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: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -340.543041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.543041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.543041 (E_RNA)
where:
Base-Base interactions energy: -234.925
where: short stacking energy: -105.945
Base-Backbone interact. energy: -1.291
local terms energy: -104.327386
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -29.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -324.209727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.209727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.209727 (E_RNA)
where:
Base-Base interactions energy: -231.283
where: short stacking energy: -89.856
Base-Backbone interact. energy: -0.082
local terms energy: -92.844015
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -330.379069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.379069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.379069 (E_RNA)
where:
Base-Base interactions energy: -226.174
where: short stacking energy: -100.496
Base-Backbone interact. energy: -0.072
local terms energy: -104.133339
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -24.958
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: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -301.475011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.475011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.475011 (E_RNA)
where:
Base-Base interactions energy: -205.765
where: short stacking energy: -96.357
Base-Backbone interact. energy: -0.102
local terms energy: -95.607828
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -26.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -240.797654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.797654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.797654 (E_RNA)
where:
Base-Base interactions energy: -158.065
where: short stacking energy: -67.611
Base-Backbone interact. energy: -0.093
local terms energy: -82.639954
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -14.679
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: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -237.812666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.812666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.812666 (E_RNA)
where:
Base-Base interactions energy: -152.803
where: short stacking energy: -81.296
Base-Backbone interact. energy: -0.060
local terms energy: -84.950333
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -18.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -182.956159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.956159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.956159 (E_RNA)
where:
Base-Base interactions energy: -110.594
where: short stacking energy: -62.538
Base-Backbone interact. energy: -0.460
local terms energy: -71.902425
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -8.913
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: 9, replica: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -185.970047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.970047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.970047 (E_RNA)
where:
Base-Base interactions energy: -108.818
where: short stacking energy: -55.847
Base-Backbone interact. energy: -0.371
local terms energy: -76.780461
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -13.474
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: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -113.399231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.399231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.399231 (E_RNA)
where:
Base-Base interactions energy: -41.476
where: short stacking energy: -36.897
Base-Backbone interact. energy: -0.562
local terms energy: -71.360868
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -368.483379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.483379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.483379 (E_RNA)
where:
Base-Base interactions energy: -258.575
where: short stacking energy: -98.467
Base-Backbone interact. energy: -0.453
local terms energy: -109.455685
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -17.615
tors. eta vs tors. theta energy: -27.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -350.114845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.114845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.114845 (E_RNA)
where:
Base-Base interactions energy: -249.281
where: short stacking energy: -89.552
Base-Backbone interact. energy: 0.048
local terms energy: -100.881221
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -326.498029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.498029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.498029 (E_RNA)
where:
Base-Base interactions energy: -231.488
where: short stacking energy: -104.451
Base-Backbone interact. energy: -0.573
local terms energy: -94.436727
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -17.582
tors. eta vs tors. theta energy: -25.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -331.700073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.700073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.700073 (E_RNA)
where:
Base-Base interactions energy: -233.336
where: short stacking energy: -91.172
Base-Backbone interact. energy: -0.112
local terms energy: -98.251632
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -25.548
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -24.361
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: 262
Temperature: 1.100000
Total energy: -313.760859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.760859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.760859 (E_RNA)
where:
Base-Base interactions energy: -215.882
where: short stacking energy: -103.066
Base-Backbone interact. energy: -0.015
local terms energy: -97.864458
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -21.015
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -27.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -242.039520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.039520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.039520 (E_RNA)
where:
Base-Base interactions energy: -158.016
where: short stacking energy: -78.653
Base-Backbone interact. energy: -0.684
local terms energy: -83.339109
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -9.222
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: 7, replica: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -191.440095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.440095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.440095 (E_RNA)
where:
Base-Base interactions energy: -115.647
where: short stacking energy: -65.245
Base-Backbone interact. energy: -0.216
local terms energy: -75.577276
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -17.841
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: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -230.895182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.895182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.895182 (E_RNA)
where:
Base-Base interactions energy: -154.924
where: short stacking energy: -67.468
Base-Backbone interact. energy: -0.299
local terms energy: -75.671386
where:
bonds (distance) C4'-P energy: -6.865
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -15.353
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: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -149.661666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.661666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.661666 (E_RNA)
where:
Base-Base interactions energy: -86.505
where: short stacking energy: -46.582
Base-Backbone interact. energy: -0.959
local terms energy: -62.198020
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -116.294428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.294428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.294428 (E_RNA)
where:
Base-Base interactions energy: -38.957
where: short stacking energy: -39.657
Base-Backbone interact. energy: 2.132
local terms energy: -79.469334
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -353.779721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.779721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.779721 (E_RNA)
where:
Base-Base interactions energy: -251.037
where: short stacking energy: -94.635
Base-Backbone interact. energy: -0.591
local terms energy: -102.152023
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -23.389
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -23.401
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: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -354.158878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.158878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.158878 (E_RNA)
where:
Base-Base interactions energy: -249.008
where: short stacking energy: -90.139
Base-Backbone interact. energy: -0.660
local terms energy: -104.490832
where:
bonds (distance) C4'-P energy: -23.259
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -330.607614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.607614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.607614 (E_RNA)
where:
Base-Base interactions energy: -232.372
where: short stacking energy: -92.238
Base-Backbone interact. energy: -0.031
local terms energy: -98.204342
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -23.070
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: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -313.657866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.657866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.657866 (E_RNA)
where:
Base-Base interactions energy: -212.613
where: short stacking energy: -89.029
Base-Backbone interact. energy: -0.166
local terms energy: -100.879086
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -24.136
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: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -316.110296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.110296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.110296 (E_RNA)
where:
Base-Base interactions energy: -226.010
where: short stacking energy: -93.708
Base-Backbone interact. energy: -1.977
local terms energy: -88.122714
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -24.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -245.528214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.528214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.528214 (E_RNA)
where:
Base-Base interactions energy: -155.892
where: short stacking energy: -85.641
Base-Backbone interact. energy: -0.581
local terms energy: -89.055693
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -21.344
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -24.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -184.570827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.570827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.570827 (E_RNA)
where:
Base-Base interactions energy: -109.745
where: short stacking energy: -43.339
Base-Backbone interact. energy: 0.372
local terms energy: -75.198089
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -235.228690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.228690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.228690 (E_RNA)
where:
Base-Base interactions energy: -153.628
where: short stacking energy: -85.201
Base-Backbone interact. energy: -1.001
local terms energy: -80.599922
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -102.170657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.170657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.170657 (E_RNA)
where:
Base-Base interactions energy: -50.017
where: short stacking energy: -38.269
Base-Backbone interact. energy: -0.699
local terms energy: -51.454775
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: 1.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -100.941724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.941724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.941724 (E_RNA)
where:
Base-Base interactions energy: -32.464
where: short stacking energy: -32.798
Base-Backbone interact. energy: 2.174
local terms energy: -70.651555
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -353.987843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.987843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.987843 (E_RNA)
where:
Base-Base interactions energy: -255.729
where: short stacking energy: -95.837
Base-Backbone interact. energy: -0.194
local terms energy: -98.065240
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -21.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -355.135516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.135516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.135516 (E_RNA)
where:
Base-Base interactions energy: -262.446
where: short stacking energy: -97.352
Base-Backbone interact. energy: -0.315
local terms energy: -92.374898
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -21.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -315.930820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.930820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.930820 (E_RNA)
where:
Base-Base interactions energy: -214.161
where: short stacking energy: -86.390
Base-Backbone interact. energy: -0.262
local terms energy: -101.508014
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -25.132
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: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -314.624927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.624927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.624927 (E_RNA)
where:
Base-Base interactions energy: -219.351
where: short stacking energy: -85.726
Base-Backbone interact. energy: 0.204
local terms energy: -95.477811
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -25.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -330.276789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.276789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.276789 (E_RNA)
where:
Base-Base interactions energy: -233.101
where: short stacking energy: -89.210
Base-Backbone interact. energy: -0.389
local terms energy: -96.786178
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -251.782752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.782752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.782752 (E_RNA)
where:
Base-Base interactions energy: -164.571
where: short stacking energy: -84.574
Base-Backbone interact. energy: -0.821
local terms energy: -86.390936
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -16.032
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: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -194.692472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.692472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.692472 (E_RNA)
where:
Base-Base interactions energy: -124.861
where: short stacking energy: -65.427
Base-Backbone interact. energy: -0.273
local terms energy: -69.558315
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -194.417721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.417721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.417721 (E_RNA)
where:
Base-Base interactions energy: -112.965
where: short stacking energy: -62.581
Base-Backbone interact. energy: 1.047
local terms energy: -82.499817
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -127.280524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.280524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.280524 (E_RNA)
where:
Base-Base interactions energy: -52.040
where: short stacking energy: -52.040
Base-Backbone interact. energy: -0.009
local terms energy: -75.231224
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -120.205912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.205912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.205912 (E_RNA)
where:
Base-Base interactions energy: -53.595
where: short stacking energy: -38.453
Base-Backbone interact. energy: 0.754
local terms energy: -67.364840
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -12.071
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: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -362.746549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.746549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.746549 (E_RNA)
where:
Base-Base interactions energy: -260.700
where: short stacking energy: -87.100
Base-Backbone interact. energy: -0.984
local terms energy: -101.062340
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -20.584
flat angles P-C4'-P energy: -16.450
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: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -349.045185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.045185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.045185 (E_RNA)
where:
Base-Base interactions energy: -252.150
where: short stacking energy: -93.398
Base-Backbone interact. energy: -0.403
local terms energy: -96.491892
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -13.544
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: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -322.253369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.253369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.253369 (E_RNA)
where:
Base-Base interactions energy: -218.292
where: short stacking energy: -87.946
Base-Backbone interact. energy: -0.797
local terms energy: -103.164410
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -21.749
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -23.588
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: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -351.427053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.427053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.427053 (E_RNA)
where:
Base-Base interactions energy: -251.121
where: short stacking energy: -86.792
Base-Backbone interact. energy: -1.067
local terms energy: -99.239323
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -22.404
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: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -316.584636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.584636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.584636 (E_RNA)
where:
Base-Base interactions energy: -221.597
where: short stacking energy: -97.480
Base-Backbone interact. energy: -0.134
local terms energy: -94.853372
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -22.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -184.487678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.487678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.487678 (E_RNA)
where:
Base-Base interactions energy: -110.009
where: short stacking energy: -60.744
Base-Backbone interact. energy: 1.533
local terms energy: -76.011483
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -221.890333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.890333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.890333 (E_RNA)
where:
Base-Base interactions energy: -143.986
where: short stacking energy: -74.433
Base-Backbone interact. energy: -0.121
local terms energy: -77.784029
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -12.109
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: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -119.218707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.218707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.218707 (E_RNA)
where:
Base-Base interactions energy: -48.101
where: short stacking energy: -48.101
Base-Backbone interact. energy: -0.100
local terms energy: -71.017796
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -163.305402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.305402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.305402 (E_RNA)
where:
Base-Base interactions energy: -100.439
where: short stacking energy: -48.541
Base-Backbone interact. energy: -0.298
local terms energy: -62.568936
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -8.629
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: 265
Temperature: 1.350000
Total energy: -126.834434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.834434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.834434 (E_RNA)
where:
Base-Base interactions energy: -72.663
where: short stacking energy: -56.553
Base-Backbone interact. energy: -0.288
local terms energy: -53.883060
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -371.186528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.186528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.186528 (E_RNA)
where:
Base-Base interactions energy: -267.811
where: short stacking energy: -106.421
Base-Backbone interact. energy: -0.257
local terms energy: -103.119278
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -23.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -362.788354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.788354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.788354 (E_RNA)
where:
Base-Base interactions energy: -270.885
where: short stacking energy: -95.528
Base-Backbone interact. energy: -1.808
local terms energy: -90.094743
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -21.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -356.205810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.205810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.205810 (E_RNA)
where:
Base-Base interactions energy: -255.877
where: short stacking energy: -95.011
Base-Backbone interact. energy: -0.778
local terms energy: -99.551487
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -23.850
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: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -309.602495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.602495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.602495 (E_RNA)
where:
Base-Base interactions energy: -220.348
where: short stacking energy: -83.770
Base-Backbone interact. energy: -0.135
local terms energy: -89.120136
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -21.036
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: 266
Temperature: 1.100000
Total energy: -297.674523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.674523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.674523 (E_RNA)
where:
Base-Base interactions energy: -204.608
where: short stacking energy: -100.112
Base-Backbone interact. energy: -0.692
local terms energy: -92.373782
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -28.567
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: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -191.999180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.999180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.999180 (E_RNA)
where:
Base-Base interactions energy: -120.604
where: short stacking energy: -60.522
Base-Backbone interact. energy: -0.546
local terms energy: -70.849295
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -227.619335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.619335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.619335 (E_RNA)
where:
Base-Base interactions energy: -151.998
where: short stacking energy: -73.758
Base-Backbone interact. energy: -0.104
local terms energy: -75.517707
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -16.549
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: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -124.676666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.676666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.676666 (E_RNA)
where:
Base-Base interactions energy: -61.512
where: short stacking energy: -43.683
Base-Backbone interact. energy: 0.662
local terms energy: -63.827011
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -109.694231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.694231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.694231 (E_RNA)
where:
Base-Base interactions energy: -52.820
where: short stacking energy: -33.107
Base-Backbone interact. energy: -0.241
local terms energy: -56.633370
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -97.715214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.715214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.715214 (E_RNA)
where:
Base-Base interactions energy: -41.078
where: short stacking energy: -36.107
Base-Backbone interact. energy: -0.586
local terms energy: -56.051396
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: 2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -362.874170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.874170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.874170 (E_RNA)
where:
Base-Base interactions energy: -263.902
where: short stacking energy: -97.426
Base-Backbone interact. energy: -0.297
local terms energy: -98.675046
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -353.649838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.649838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.649838 (E_RNA)
where:
Base-Base interactions energy: -261.060
where: short stacking energy: -91.905
Base-Backbone interact. energy: -0.376
local terms energy: -92.214234
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -345.653151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.653151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.653151 (E_RNA)
where:
Base-Base interactions energy: -236.852
where: short stacking energy: -95.282
Base-Backbone interact. energy: -0.334
local terms energy: -108.467615
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -22.610
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: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -311.748449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.748449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.748449 (E_RNA)
where:
Base-Base interactions energy: -206.974
where: short stacking energy: -95.681
Base-Backbone interact. energy: -0.141
local terms energy: -104.633996
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -19.524
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -26.918
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: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -324.447368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.447368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.447368 (E_RNA)
where:
Base-Base interactions energy: -235.714
where: short stacking energy: -104.017
Base-Backbone interact. energy: -0.011
local terms energy: -88.722905
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -24.174
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -25.967
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: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -237.897884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.897884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.897884 (E_RNA)
where:
Base-Base interactions energy: -142.594
where: short stacking energy: -66.315
Base-Backbone interact. energy: -1.435
local terms energy: -93.868504
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -22.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -207.720005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.720005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.720005 (E_RNA)
where:
Base-Base interactions energy: -113.095
where: short stacking energy: -74.355
Base-Backbone interact. energy: -0.081
local terms energy: -94.543995
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -137.375007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.375007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.375007 (E_RNA)
where:
Base-Base interactions energy: -75.974
where: short stacking energy: -55.702
Base-Backbone interact. energy: -0.138
local terms energy: -61.262625
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -153.354698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.354698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.354698 (E_RNA)
where:
Base-Base interactions energy: -86.236
where: short stacking energy: -51.462
Base-Backbone interact. energy: 2.985
local terms energy: -70.103812
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -11.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -91.635109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.635109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.635109 (E_RNA)
where:
Base-Base interactions energy: -29.483
where: short stacking energy: -29.483
Base-Backbone interact. energy: -0.214
local terms energy: -61.938189
where:
bonds (distance) C4'-P energy: -18.840
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -359.246387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.246387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.246387 (E_RNA)
where:
Base-Base interactions energy: -268.355
where: short stacking energy: -94.539
Base-Backbone interact. energy: 1.578
local terms energy: -92.469942
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -21.709
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -357.755491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.755491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.755491 (E_RNA)
where:
Base-Base interactions energy: -254.072
where: short stacking energy: -90.568
Base-Backbone interact. energy: -0.259
local terms energy: -103.424730
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -22.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -348.109692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.109692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.109692 (E_RNA)
where:
Base-Base interactions energy: -249.072
where: short stacking energy: -98.865
Base-Backbone interact. energy: -0.050
local terms energy: -98.988214
where:
bonds (distance) C4'-P energy: -23.122
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -24.132
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: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -294.070635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.070635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.070635 (E_RNA)
where:
Base-Base interactions energy: -199.184
where: short stacking energy: -82.782
Base-Backbone interact. energy: -0.588
local terms energy: -94.298032
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -24.210
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: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -309.639080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.639080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.639080 (E_RNA)
where:
Base-Base interactions energy: -206.373
where: short stacking energy: -78.723
Base-Backbone interact. energy: -0.038
local terms energy: -103.228331
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -21.108
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -253.317752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.317752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.317752 (E_RNA)
where:
Base-Base interactions energy: -158.493
where: short stacking energy: -77.364
Base-Backbone interact. energy: -0.045
local terms energy: -94.779242
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -206.797733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.797733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.797733 (E_RNA)
where:
Base-Base interactions energy: -124.660
where: short stacking energy: -54.481
Base-Backbone interact. energy: -1.877
local terms energy: -80.260792
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -12.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -116.308795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.308795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.308795 (E_RNA)
where:
Base-Base interactions energy: -52.277
where: short stacking energy: -42.206
Base-Backbone interact. energy: 2.429
local terms energy: -66.460864
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -134.941431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.941431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.941431 (E_RNA)
where:
Base-Base interactions energy: -55.584
where: short stacking energy: -55.584
Base-Backbone interact. energy: -0.077
local terms energy: -79.281028
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -13.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -114.738588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.738588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.738588 (E_RNA)
where:
Base-Base interactions energy: -51.596
where: short stacking energy: -24.077
Base-Backbone interact. energy: -0.239
local terms energy: -62.903568
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: 2.498
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: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -359.122955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.122955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.122955 (E_RNA)
where:
Base-Base interactions energy: -255.243
where: short stacking energy: -97.398
Base-Backbone interact. energy: -0.256
local terms energy: -103.623200
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -22.642
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -23.304
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: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -349.758369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.758369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.758369 (E_RNA)
where:
Base-Base interactions energy: -253.517
where: short stacking energy: -98.819
Base-Backbone interact. energy: -0.176
local terms energy: -96.065429
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -346.923678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.923678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.923678 (E_RNA)
where:
Base-Base interactions energy: -252.566
where: short stacking energy: -93.890
Base-Backbone interact. energy: -0.424
local terms energy: -93.934588
where:
bonds (distance) C4'-P energy: -22.716
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -20.940
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -20.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -314.556708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.556708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.556708 (E_RNA)
where:
Base-Base interactions energy: -222.489
where: short stacking energy: -88.258
Base-Backbone interact. energy: -0.913
local terms energy: -91.155512
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -22.284
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: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -304.250247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.250247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.250247 (E_RNA)
where:
Base-Base interactions energy: -211.477
where: short stacking energy: -102.170
Base-Backbone interact. energy: -0.049
local terms energy: -92.725037
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: -28.851
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: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -195.036629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.036629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.036629 (E_RNA)
where:
Base-Base interactions energy: -117.011
where: short stacking energy: -58.944
Base-Backbone interact. energy: -0.059
local terms energy: -77.965971
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -10.839
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: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -233.987758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.987758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.987758 (E_RNA)
where:
Base-Base interactions energy: -157.921
where: short stacking energy: -71.708
Base-Backbone interact. energy: -0.323
local terms energy: -75.743375
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -15.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -125.102937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.102937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.102937 (E_RNA)
where:
Base-Base interactions energy: -78.201
where: short stacking energy: -38.376
Base-Backbone interact. energy: 0.491
local terms energy: -47.392844
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -124.926391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.926391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.926391 (E_RNA)
where:
Base-Base interactions energy: -66.968
where: short stacking energy: -35.999
Base-Backbone interact. energy: 1.278
local terms energy: -59.235584
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -7.053
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: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -105.179939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.179939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.179939 (E_RNA)
where:
Base-Base interactions energy: -44.126
where: short stacking energy: -39.273
Base-Backbone interact. energy: 0.862
local terms energy: -61.915154
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -23.585
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -360.522662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.522662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.522662 (E_RNA)
where:
Base-Base interactions energy: -257.112
where: short stacking energy: -98.326
Base-Backbone interact. energy: 0.577
local terms energy: -103.988242
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -24.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -355.569188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.569188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.569188 (E_RNA)
where:
Base-Base interactions energy: -249.048
where: short stacking energy: -89.269
Base-Backbone interact. energy: 0.007
local terms energy: -106.528047
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -23.383
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -24.511
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: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -352.363774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.363774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.363774 (E_RNA)
where:
Base-Base interactions energy: -254.132
where: short stacking energy: -90.852
Base-Backbone interact. energy: -0.340
local terms energy: -97.892638
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -25.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -315.030403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.030403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.030403 (E_RNA)
where:
Base-Base interactions energy: -219.652
where: short stacking energy: -92.012
Base-Backbone interact. energy: -0.131
local terms energy: -95.247016
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -23.262
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: 2
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -292.911284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.911284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.911284 (E_RNA)
where:
Base-Base interactions energy: -197.117
where: short stacking energy: -85.015
Base-Backbone interact. energy: -0.093
local terms energy: -95.701139
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -24.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -198.979804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.979804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.979804 (E_RNA)
where:
Base-Base interactions energy: -109.844
where: short stacking energy: -63.040
Base-Backbone interact. energy: -0.160
local terms energy: -88.975180
where:
bonds (distance) C4'-P energy: -23.282
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -131.911446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.911446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.911446 (E_RNA)
where:
Base-Base interactions energy: -62.339
where: short stacking energy: -43.806
Base-Backbone interact. energy: -0.149
local terms energy: -69.423728
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -8.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -225.576072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.576072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.576072 (E_RNA)
where:
Base-Base interactions energy: -151.536
where: short stacking energy: -65.748
Base-Backbone interact. energy: -0.058
local terms energy: -73.982221
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -16.415
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: 270
Temperature: 1.300000
Total energy: -112.522106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.522106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.522106 (E_RNA)
where:
Base-Base interactions energy: -51.480
where: short stacking energy: -44.919
Base-Backbone interact. energy: -0.873
local terms energy: -60.169005
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -4.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -101.283655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.283655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.283655 (E_RNA)
where:
Base-Base interactions energy: -46.708
where: short stacking energy: -43.231
Base-Backbone interact. energy: 2.745
local terms energy: -57.321489
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -8.038
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: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -365.410237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.410237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.410237 (E_RNA)
where:
Base-Base interactions energy: -252.124
where: short stacking energy: -95.663
Base-Backbone interact. energy: -0.406
local terms energy: -112.880991
where:
bonds (distance) C4'-P energy: -22.716
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -28.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -353.014090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.014090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.014090 (E_RNA)
where:
Base-Base interactions energy: -251.839
where: short stacking energy: -94.576
Base-Backbone interact. energy: -0.384
local terms energy: -100.790784
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -21.158
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: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -351.446962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.446962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.446962 (E_RNA)
where:
Base-Base interactions energy: -250.241
where: short stacking energy: -96.012
Base-Backbone interact. energy: -0.201
local terms energy: -101.005200
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -24.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -307.144022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.144022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.144022 (E_RNA)
where:
Base-Base interactions energy: -204.992
where: short stacking energy: -86.762
Base-Backbone interact. energy: -1.395
local terms energy: -100.757447
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: -22.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -321.875893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.875893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.875893 (E_RNA)
where:
Base-Base interactions energy: -224.555
where: short stacking energy: -91.673
Base-Backbone interact. energy: -0.175
local terms energy: -97.145778
where:
bonds (distance) C4'-P energy: -20.437
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -27.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -207.025447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.025447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.025447 (E_RNA)
where:
Base-Base interactions energy: -130.022
where: short stacking energy: -79.840
Base-Backbone interact. energy: -0.579
local terms energy: -76.423594
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -18.362
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: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -131.631014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.631014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.631014 (E_RNA)
where:
Base-Base interactions energy: -60.700
where: short stacking energy: -44.729
Base-Backbone interact. energy: -0.080
local terms energy: -70.851019
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -230.664406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.664406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.664406 (E_RNA)
where:
Base-Base interactions energy: -147.663
where: short stacking energy: -71.102
Base-Backbone interact. energy: -0.007
local terms energy: -82.995269
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -5.117
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: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -121.687470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.687470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.687470 (E_RNA)
where:
Base-Base interactions energy: -46.249
where: short stacking energy: -41.974
Base-Backbone interact. energy: -1.016
local terms energy: -74.422028
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -7.961
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: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -104.237888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.237888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.237888 (E_RNA)
where:
Base-Base interactions energy: -49.988
where: short stacking energy: -46.752
Base-Backbone interact. energy: -0.416
local terms energy: -53.833489
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -356.499817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.499817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.499817 (E_RNA)
where:
Base-Base interactions energy: -247.908
where: short stacking energy: -94.353
Base-Backbone interact. energy: -0.007
local terms energy: -108.585216
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -24.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -346.349418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.349418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.349418 (E_RNA)
where:
Base-Base interactions energy: -247.198
where: short stacking energy: -96.514
Base-Backbone interact. energy: -0.198
local terms energy: -98.952872
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -25.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -357.802190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.802190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.802190 (E_RNA)
where:
Base-Base interactions energy: -257.712
where: short stacking energy: -100.585
Base-Backbone interact. energy: -0.240
local terms energy: -99.850075
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -29.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -320.009205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.009205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.009205 (E_RNA)
where:
Base-Base interactions energy: -222.293
where: short stacking energy: -100.253
Base-Backbone interact. energy: -0.047
local terms energy: -97.668887
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -27.514
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: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -309.799298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.799298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.799298 (E_RNA)
where:
Base-Base interactions energy: -220.642
where: short stacking energy: -98.993
Base-Backbone interact. energy: -0.011
local terms energy: -89.146589
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -25.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -197.399314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.399314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.399314 (E_RNA)
where:
Base-Base interactions energy: -121.227
where: short stacking energy: -70.967
Base-Backbone interact. energy: -0.012
local terms energy: -76.160110
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -227.290045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.290045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.290045 (E_RNA)
where:
Base-Base interactions energy: -147.142
where: short stacking energy: -69.138
Base-Backbone interact. energy: -0.256
local terms energy: -79.891085
where:
bonds (distance) C4'-P energy: -20.844
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -135.862253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.862253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.862253 (E_RNA)
where:
Base-Base interactions energy: -65.583
where: short stacking energy: -47.555
Base-Backbone interact. energy: -0.140
local terms energy: -70.138831
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -113.461403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.461403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.461403 (E_RNA)
where:
Base-Base interactions energy: -38.482
where: short stacking energy: -33.552
Base-Backbone interact. energy: -0.198
local terms energy: -74.781252
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -8.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -111.314778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.314778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.314778 (E_RNA)
where:
Base-Base interactions energy: -47.706
where: short stacking energy: -42.048
Base-Backbone interact. energy: -0.035
local terms energy: -63.573597
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -363.557979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.557979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.557979 (E_RNA)
where:
Base-Base interactions energy: -263.596
where: short stacking energy: -99.070
Base-Backbone interact. energy: -0.011
local terms energy: -99.951169
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -24.475
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: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -347.826259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.826259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.826259 (E_RNA)
where:
Base-Base interactions energy: -250.338
where: short stacking energy: -93.670
Base-Backbone interact. energy: -0.831
local terms energy: -96.657589
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -22.623
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -16.109
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: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -341.021173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.021173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.021173 (E_RNA)
where:
Base-Base interactions energy: -247.167
where: short stacking energy: -88.308
Base-Backbone interact. energy: -0.278
local terms energy: -93.576699
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -21.764
flat angles C4'-P-C4' energy: -22.011
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -329.213681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.213681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.213681 (E_RNA)
where:
Base-Base interactions energy: -233.545
where: short stacking energy: -93.284
Base-Backbone interact. energy: -0.006
local terms energy: -95.663045
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -27.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -307.194671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.194671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.194671 (E_RNA)
where:
Base-Base interactions energy: -203.736
where: short stacking energy: -89.953
Base-Backbone interact. energy: -0.010
local terms energy: -103.448727
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -21.198
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: -25.668
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: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -244.972811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.972811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.972811 (E_RNA)
where:
Base-Base interactions energy: -150.988
where: short stacking energy: -82.222
Base-Backbone interact. energy: -0.061
local terms energy: -93.923475
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -20.966
flat angles C4'-P-C4' energy: -22.385
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -22.066
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: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -180.943250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.943250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.943250 (E_RNA)
where:
Base-Base interactions energy: -111.835
where: short stacking energy: -63.630
Base-Backbone interact. energy: -0.347
local terms energy: -68.761280
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -8.496
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: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -128.809781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.809781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.809781 (E_RNA)
where:
Base-Base interactions energy: -62.919
where: short stacking energy: -35.050
Base-Backbone interact. energy: -0.591
local terms energy: -65.299551
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -115.353138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.353138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.353138 (E_RNA)
where:
Base-Base interactions energy: -51.065
where: short stacking energy: -41.021
Base-Backbone interact. energy: -0.595
local terms energy: -63.693852
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: 1.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -94.612159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.612159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.612159 (E_RNA)
where:
Base-Base interactions energy: -30.761
where: short stacking energy: -28.957
Base-Backbone interact. energy: -2.244
local terms energy: -61.607286
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -356.850808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.850808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.850808 (E_RNA)
where:
Base-Base interactions energy: -256.287
where: short stacking energy: -96.445
Base-Backbone interact. energy: -0.172
local terms energy: -100.391118
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -25.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -351.928645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.928645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.928645 (E_RNA)
where:
Base-Base interactions energy: -254.433
where: short stacking energy: -92.362
Base-Backbone interact. energy: -0.674
local terms energy: -96.822205
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -19.893
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -22.593
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: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -333.430532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.430532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.430532 (E_RNA)
where:
Base-Base interactions energy: -232.330
where: short stacking energy: -94.360
Base-Backbone interact. energy: -0.016
local terms energy: -101.085141
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -24.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -333.117294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.117294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.117294 (E_RNA)
where:
Base-Base interactions energy: -241.373
where: short stacking energy: -89.338
Base-Backbone interact. energy: -0.353
local terms energy: -91.391960
where:
bonds (distance) C4'-P energy: -21.666
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -23.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -311.208302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.208302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.208302 (E_RNA)
where:
Base-Base interactions energy: -208.742
where: short stacking energy: -95.395
Base-Backbone interact. energy: -0.136
local terms energy: -102.331110
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -17.503
tors. eta vs tors. theta energy: -26.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -243.543725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.543725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.543725 (E_RNA)
where:
Base-Base interactions energy: -165.845
where: short stacking energy: -76.233
Base-Backbone interact. energy: -0.208
local terms energy: -77.490412
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -6.132
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: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -218.752558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.752558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.752558 (E_RNA)
where:
Base-Base interactions energy: -147.285
where: short stacking energy: -68.759
Base-Backbone interact. energy: -0.093
local terms energy: -71.374479
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -20.881
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -10.696
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: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -124.017151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.017151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.017151 (E_RNA)
where:
Base-Base interactions energy: -55.234
where: short stacking energy: -29.670
Base-Backbone interact. energy: -0.226
local terms energy: -68.557060
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -3.013
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: 274
Temperature: 1.300000
Total energy: -114.463466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.463466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.463466 (E_RNA)
where:
Base-Base interactions energy: -66.325
where: short stacking energy: -32.480
Base-Backbone interact. energy: -0.633
local terms energy: -47.505269
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -3.823
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: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -95.303771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.303771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.303771 (E_RNA)
where:
Base-Base interactions energy: -41.011
where: short stacking energy: -37.654
Base-Backbone interact. energy: -0.345
local terms energy: -53.948065
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -357.298587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.298587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.298587 (E_RNA)
where:
Base-Base interactions energy: -253.131
where: short stacking energy: -100.556
Base-Backbone interact. energy: -0.056
local terms energy: -104.111015
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -25.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -340.255395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.255395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.255395 (E_RNA)
where:
Base-Base interactions energy: -247.434
where: short stacking energy: -93.024
Base-Backbone interact. energy: -0.436
local terms energy: -92.385768
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -25.090
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -328.638392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.638392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.638392 (E_RNA)
where:
Base-Base interactions energy: -232.369
where: short stacking energy: -98.677
Base-Backbone interact. energy: 0.255
local terms energy: -96.524677
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -23.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -335.403127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.403127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.403127 (E_RNA)
where:
Base-Base interactions energy: -253.328
where: short stacking energy: -92.735
Base-Backbone interact. energy: -0.102
local terms energy: -81.973098
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -23.342
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -18.877
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: 275
Temperature: 1.100000
Total energy: -318.674740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.674740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.674740 (E_RNA)
where:
Base-Base interactions energy: -214.967
where: short stacking energy: -91.936
Base-Backbone interact. energy: -1.148
local terms energy: -102.559492
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -24.994
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: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -245.784458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.784458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.784458 (E_RNA)
where:
Base-Base interactions energy: -158.569
where: short stacking energy: -72.860
Base-Backbone interact. energy: -0.078
local terms energy: -87.137020
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -223.279512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.279512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.279512 (E_RNA)
where:
Base-Base interactions energy: -142.251
where: short stacking energy: -60.528
Base-Backbone interact. energy: -1.047
local terms energy: -79.981234
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -10.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -114.815915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.815915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.815915 (E_RNA)
where:
Base-Base interactions energy: -43.947
where: short stacking energy: -38.200
Base-Backbone interact. energy: 0.251
local terms energy: -71.120517
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -107.436628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.436628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.436628 (E_RNA)
where:
Base-Base interactions energy: -48.204
where: short stacking energy: -41.640
Base-Backbone interact. energy: -0.109
local terms energy: -59.122988
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -106.437003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.437003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.437003 (E_RNA)
where:
Base-Base interactions energy: -44.045
where: short stacking energy: -31.253
Base-Backbone interact. energy: -1.159
local terms energy: -61.232824
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -10.656
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: 276
Temperature: 0.900000
Total energy: -356.003143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.003143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.003143 (E_RNA)
where:
Base-Base interactions energy: -250.168
where: short stacking energy: -93.916
Base-Backbone interact. energy: -0.084
local terms energy: -105.751673
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -27.184
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: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -345.028172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.028172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.028172 (E_RNA)
where:
Base-Base interactions energy: -250.598
where: short stacking energy: -95.965
Base-Backbone interact. energy: -0.415
local terms energy: -94.015483
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -342.049353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.049353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.049353 (E_RNA)
where:
Base-Base interactions energy: -247.015
where: short stacking energy: -84.729
Base-Backbone interact. energy: -0.271
local terms energy: -94.763128
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -23.764
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -22.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -331.960754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.960754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.960754 (E_RNA)
where:
Base-Base interactions energy: -234.290
where: short stacking energy: -92.885
Base-Backbone interact. energy: 0.203
local terms energy: -97.873522
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -26.042
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: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -296.561431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.561431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.561431 (E_RNA)
where:
Base-Base interactions energy: -201.978
where: short stacking energy: -91.584
Base-Backbone interact. energy: -0.626
local terms energy: -93.957563
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -27.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -232.646196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.646196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.646196 (E_RNA)
where:
Base-Base interactions energy: -152.896
where: short stacking energy: -75.113
Base-Backbone interact. energy: -1.255
local terms energy: -78.495450
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -18.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -223.496724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.496724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.496724 (E_RNA)
where:
Base-Base interactions energy: -142.634
where: short stacking energy: -61.556
Base-Backbone interact. energy: -0.716
local terms energy: -80.147296
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -12.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -118.854957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.854957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.854957 (E_RNA)
where:
Base-Base interactions energy: -43.593
where: short stacking energy: -36.996
Base-Backbone interact. energy: -0.247
local terms energy: -75.015591
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -117.601286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.601286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.601286 (E_RNA)
where:
Base-Base interactions energy: -49.203
where: short stacking energy: -43.479
Base-Backbone interact. energy: -0.620
local terms energy: -67.777870
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -9.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -94.849363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.849363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.849363 (E_RNA)
where:
Base-Base interactions energy: -29.094
where: short stacking energy: -27.760
Base-Backbone interact. energy: 2.045
local terms energy: -67.801104
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: 0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -359.250279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.250279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.250279 (E_RNA)
where:
Base-Base interactions energy: -259.802
where: short stacking energy: -96.719
Base-Backbone interact. energy: -0.106
local terms energy: -99.343065
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -360.158641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.158641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.158641 (E_RNA)
where:
Base-Base interactions energy: -255.459
where: short stacking energy: -91.755
Base-Backbone interact. energy: -0.598
local terms energy: -104.101466
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -22.089
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: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -341.525487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.525487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.525487 (E_RNA)
where:
Base-Base interactions energy: -246.803
where: short stacking energy: -98.165
Base-Backbone interact. energy: -0.054
local terms energy: -94.668886
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -23.652
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: 277
Temperature: 1.050000
Total energy: -313.052695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.052695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.052695 (E_RNA)
where:
Base-Base interactions energy: -213.764
where: short stacking energy: -97.839
Base-Backbone interact. energy: 0.832
local terms energy: -100.121176
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -30.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -317.285402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.285402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.285402 (E_RNA)
where:
Base-Base interactions energy: -225.398
where: short stacking energy: -95.854
Base-Backbone interact. energy: -0.072
local terms energy: -91.815515
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -26.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -251.650842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.650842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.650842 (E_RNA)
where:
Base-Base interactions energy: -162.956
where: short stacking energy: -70.439
Base-Backbone interact. energy: -0.034
local terms energy: -88.661127
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -18.740
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: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -237.977621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.977621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.977621 (E_RNA)
where:
Base-Base interactions energy: -152.085
where: short stacking energy: -85.620
Base-Backbone interact. energy: -0.020
local terms energy: -85.872573
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -107.444680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.444680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.444680 (E_RNA)
where:
Base-Base interactions energy: -34.665
where: short stacking energy: -28.436
Base-Backbone interact. energy: 0.158
local terms energy: -72.937374
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -105.510043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.510043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.510043 (E_RNA)
where:
Base-Base interactions energy: -45.611
where: short stacking energy: -40.207
Base-Backbone interact. energy: -0.786
local terms energy: -59.112588
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -8.551
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: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -101.345059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.345059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.345059 (E_RNA)
where:
Base-Base interactions energy: -53.521
where: short stacking energy: -36.282
Base-Backbone interact. energy: -0.323
local terms energy: -47.501108
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -7.411
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: 0.612
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: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -358.097946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.097946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.097946 (E_RNA)
where:
Base-Base interactions energy: -251.699
where: short stacking energy: -97.534
Base-Backbone interact. energy: -0.084
local terms energy: -106.314731
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -23.744
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -17.646
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: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -351.591720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.591720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.591720 (E_RNA)
where:
Base-Base interactions energy: -248.637
where: short stacking energy: -93.118
Base-Backbone interact. energy: -0.862
local terms energy: -102.092836
where:
bonds (distance) C4'-P energy: -23.959
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -24.916
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: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -328.596406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.596406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.596406 (E_RNA)
where:
Base-Base interactions energy: -233.262
where: short stacking energy: -86.930
Base-Backbone interact. energy: -0.706
local terms energy: -94.628944
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -21.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -316.187125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.187125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.187125 (E_RNA)
where:
Base-Base interactions energy: -216.913
where: short stacking energy: -106.790
Base-Backbone interact. energy: -0.290
local terms energy: -98.983937
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -17.581
flat angles C4'-P-C4' energy: -24.444
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -26.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -320.794033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.794033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.794033 (E_RNA)
where:
Base-Base interactions energy: -215.350
where: short stacking energy: -88.957
Base-Backbone interact. energy: -0.396
local terms energy: -105.047907
where:
bonds (distance) C4'-P energy: -23.254
bonds (distance) P-C4' energy: -22.755
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -245.781797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.781797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.781797 (E_RNA)
where:
Base-Base interactions energy: -169.052
where: short stacking energy: -75.103
Base-Backbone interact. energy: -0.385
local terms energy: -76.344717
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -13.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -234.089307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.089307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.089307 (E_RNA)
where:
Base-Base interactions energy: -139.389
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.718
local terms energy: -93.982152
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -113.222502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.222502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.222502 (E_RNA)
where:
Base-Base interactions energy: -41.988
where: short stacking energy: -36.799
Base-Backbone interact. energy: 0.293
local terms energy: -71.527721
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -5.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -143.645254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.645254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.645254 (E_RNA)
where:
Base-Base interactions energy: -80.037
where: short stacking energy: -39.674
Base-Backbone interact. energy: -0.216
local terms energy: -63.392003
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -119.086845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.086845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.086845 (E_RNA)
where:
Base-Base interactions energy: -56.925
where: short stacking energy: -51.727
Base-Backbone interact. energy: 1.636
local terms energy: -63.797163
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -9.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -352.668880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.668880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.668880 (E_RNA)
where:
Base-Base interactions energy: -251.416
where: short stacking energy: -93.681
Base-Backbone interact. energy: -0.033
local terms energy: -101.219119
where:
bonds (distance) C4'-P energy: -20.119
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -24.124
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: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -354.041817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.041817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.041817 (E_RNA)
where:
Base-Base interactions energy: -249.148
where: short stacking energy: -90.580
Base-Backbone interact. energy: -0.189
local terms energy: -104.704117
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -328.910183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.910183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.910183 (E_RNA)
where:
Base-Base interactions energy: -226.848
where: short stacking energy: -84.919
Base-Backbone interact. energy: -1.809
local terms energy: -100.254089
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -22.795
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -312.648410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.648410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.648410 (E_RNA)
where:
Base-Base interactions energy: -221.285
where: short stacking energy: -97.107
Base-Backbone interact. energy: -0.090
local terms energy: -91.273503
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -21.427
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -26.456
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: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -311.729064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.729064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.729064 (E_RNA)
where:
Base-Base interactions energy: -222.439
where: short stacking energy: -97.345
Base-Backbone interact. energy: -0.005
local terms energy: -89.284835
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -26.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -231.618207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.618207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.618207 (E_RNA)
where:
Base-Base interactions energy: -143.927
where: short stacking energy: -70.773
Base-Backbone interact. energy: -0.157
local terms energy: -87.533744
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -226.392552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.392552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.392552 (E_RNA)
where:
Base-Base interactions energy: -144.762
where: short stacking energy: -81.521
Base-Backbone interact. energy: -0.111
local terms energy: -81.519686
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -18.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -157.214271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.214271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.214271 (E_RNA)
where:
Base-Base interactions energy: -80.480
where: short stacking energy: -49.988
Base-Backbone interact. energy: -0.006
local terms energy: -76.728074
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -8.106
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: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -108.874501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.874501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.874501 (E_RNA)
where:
Base-Base interactions energy: -43.380
where: short stacking energy: -33.342
Base-Backbone interact. energy: -0.250
local terms energy: -65.244959
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -99.129141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.129141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.129141 (E_RNA)
where:
Base-Base interactions energy: -33.422
where: short stacking energy: -33.089
Base-Backbone interact. energy: -0.198
local terms energy: -65.508990
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -361.717314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.717314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.717314 (E_RNA)
where:
Base-Base interactions energy: -257.279
where: short stacking energy: -98.408
Base-Backbone interact. energy: -0.088
local terms energy: -104.350274
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -26.466
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: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -357.659498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.659498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.659498 (E_RNA)
where:
Base-Base interactions energy: -257.698
where: short stacking energy: -86.895
Base-Backbone interact. energy: 0.089
local terms energy: -100.051036
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -19.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -318.589835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.589835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.589835 (E_RNA)
where:
Base-Base interactions energy: -220.151
where: short stacking energy: -95.564
Base-Backbone interact. energy: -0.021
local terms energy: -98.417666
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -28.478
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: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -345.551485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.551485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.551485 (E_RNA)
where:
Base-Base interactions energy: -251.463
where: short stacking energy: -90.325
Base-Backbone interact. energy: -0.730
local terms energy: -93.358624
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -24.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -303.078539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.078539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.078539 (E_RNA)
where:
Base-Base interactions energy: -205.030
where: short stacking energy: -95.376
Base-Backbone interact. energy: -0.002
local terms energy: -98.045934
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -244.702155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.702155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.702155 (E_RNA)
where:
Base-Base interactions energy: -155.724
where: short stacking energy: -76.502
Base-Backbone interact. energy: -0.016
local terms energy: -88.962574
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -146.877214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.877214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.877214 (E_RNA)
where:
Base-Base interactions energy: -73.836
where: short stacking energy: -48.897
Base-Backbone interact. energy: -0.338
local terms energy: -72.703027
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -9.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -191.896809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.896809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.896809 (E_RNA)
where:
Base-Base interactions energy: -119.443
where: short stacking energy: -55.173
Base-Backbone interact. energy: -0.574
local terms energy: -71.879872
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -14.154
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: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -114.623388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.623388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.623388 (E_RNA)
where:
Base-Base interactions energy: -50.342
where: short stacking energy: -42.104
Base-Backbone interact. energy: -0.385
local terms energy: -63.895542
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: 2.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -99.768668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.768668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.768668 (E_RNA)
where:
Base-Base interactions energy: -37.434
where: short stacking energy: -29.790
Base-Backbone interact. energy: -0.316
local terms energy: -62.018417
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -354.179804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.179804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.179804 (E_RNA)
where:
Base-Base interactions energy: -248.898
where: short stacking energy: -95.777
Base-Backbone interact. energy: -0.321
local terms energy: -104.960149
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -25.249
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: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -353.889988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.889988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.889988 (E_RNA)
where:
Base-Base interactions energy: -262.229
where: short stacking energy: -93.947
Base-Backbone interact. energy: -0.116
local terms energy: -91.544809
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -22.647
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -331.959052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.959052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.959052 (E_RNA)
where:
Base-Base interactions energy: -228.280
where: short stacking energy: -102.487
Base-Backbone interact. energy: -0.971
local terms energy: -102.708800
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -24.001
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -29.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -338.508466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.508466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.508466 (E_RNA)
where:
Base-Base interactions energy: -246.751
where: short stacking energy: -88.580
Base-Backbone interact. energy: -2.488
local terms energy: -89.269450
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -308.139461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.139461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.139461 (E_RNA)
where:
Base-Base interactions energy: -217.789
where: short stacking energy: -87.911
Base-Backbone interact. energy: -0.002
local terms energy: -90.348283
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -22.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -241.072550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.072550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.072550 (E_RNA)
where:
Base-Base interactions energy: -144.300
where: short stacking energy: -69.079
Base-Backbone interact. energy: -0.008
local terms energy: -96.764370
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -159.457966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.457966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.457966 (E_RNA)
where:
Base-Base interactions energy: -87.859
where: short stacking energy: -45.978
Base-Backbone interact. energy: -0.628
local terms energy: -70.970528
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -7.942
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: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -189.848082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.848082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.848082 (E_RNA)
where:
Base-Base interactions energy: -107.801
where: short stacking energy: -51.376
Base-Backbone interact. energy: 0.505
local terms energy: -82.551929
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -13.085
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: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -105.488874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.488874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.488874 (E_RNA)
where:
Base-Base interactions energy: -32.884
where: short stacking energy: -32.884
Base-Backbone interact. energy: -0.069
local terms energy: -72.536186
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -8.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -124.376104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.376104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.376104 (E_RNA)
where:
Base-Base interactions energy: -56.848
where: short stacking energy: -29.652
Base-Backbone interact. energy: -0.049
local terms energy: -67.478944
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -354.181133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.181133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.181133 (E_RNA)
where:
Base-Base interactions energy: -249.642
where: short stacking energy: -95.384
Base-Backbone interact. energy: -0.373
local terms energy: -104.166076
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -24.650
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: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -358.914670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.914670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.914670 (E_RNA)
where:
Base-Base interactions energy: -252.829
where: short stacking energy: -99.895
Base-Backbone interact. energy: -0.073
local terms energy: -106.012758
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -25.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -321.692015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.692015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.692015 (E_RNA)
where:
Base-Base interactions energy: -221.752
where: short stacking energy: -91.352
Base-Backbone interact. energy: -0.588
local terms energy: -99.352291
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -27.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -336.233775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.233775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.233775 (E_RNA)
where:
Base-Base interactions energy: -242.315
where: short stacking energy: -90.271
Base-Backbone interact. energy: -0.547
local terms energy: -93.372415
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -308.211063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.211063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.211063 (E_RNA)
where:
Base-Base interactions energy: -212.324
where: short stacking energy: -93.734
Base-Backbone interact. energy: -1.001
local terms energy: -94.886292
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -26.578
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: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -242.744631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.744631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.744631 (E_RNA)
where:
Base-Base interactions energy: -160.734
where: short stacking energy: -68.901
Base-Backbone interact. energy: -0.578
local terms energy: -81.433219
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -19.761
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -171.912530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.912530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.912530 (E_RNA)
where:
Base-Base interactions energy: -98.201
where: short stacking energy: -54.128
Base-Backbone interact. energy: -0.662
local terms energy: -73.049123
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -8.983
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: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -155.763890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.763890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.763890 (E_RNA)
where:
Base-Base interactions energy: -86.073
where: short stacking energy: -50.930
Base-Backbone interact. energy: -1.074
local terms energy: -68.616607
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: 1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -119.385429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.385429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.385429 (E_RNA)
where:
Base-Base interactions energy: -53.800
where: short stacking energy: -53.800
Base-Backbone interact. energy: -0.114
local terms energy: -65.471652
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -99.045821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.045821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.045821 (E_RNA)
where:
Base-Base interactions energy: -41.999
where: short stacking energy: -41.999
Base-Backbone interact. energy: -0.959
local terms energy: -56.087072
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -349.594311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.594311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.594311 (E_RNA)
where:
Base-Base interactions energy: -242.476
where: short stacking energy: -95.878
Base-Backbone interact. energy: -0.126
local terms energy: -106.993236
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -23.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -334.248822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.248822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.248822 (E_RNA)
where:
Base-Base interactions energy: -228.634
where: short stacking energy: -94.140
Base-Backbone interact. energy: -0.077
local terms energy: -105.537978
where:
bonds (distance) C4'-P energy: -22.110
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -24.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -353.019411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.019411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.019411 (E_RNA)
where:
Base-Base interactions energy: -254.593
where: short stacking energy: -96.215
Base-Backbone interact. energy: -0.097
local terms energy: -98.329428
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -333.193227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.193227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.193227 (E_RNA)
where:
Base-Base interactions energy: -247.259
where: short stacking energy: -94.722
Base-Backbone interact. energy: -0.211
local terms energy: -85.722689
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -310.144379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.144379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.144379 (E_RNA)
where:
Base-Base interactions energy: -214.505
where: short stacking energy: -101.614
Base-Backbone interact. energy: -0.560
local terms energy: -95.079567
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -26.555
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: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -255.879293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.879293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.879293 (E_RNA)
where:
Base-Base interactions energy: -166.887
where: short stacking energy: -84.119
Base-Backbone interact. energy: -0.777
local terms energy: -88.215331
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -17.810
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: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -180.075614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.075614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.075614 (E_RNA)
where:
Base-Base interactions energy: -105.722
where: short stacking energy: -51.205
Base-Backbone interact. energy: -0.145
local terms energy: -74.207949
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -8.003
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: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -155.537938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.537938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.537938 (E_RNA)
where:
Base-Base interactions energy: -78.213
where: short stacking energy: -52.244
Base-Backbone interact. energy: -0.055
local terms energy: -77.269100
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -12.290
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: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -106.154993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.154993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.154993 (E_RNA)
where:
Base-Base interactions energy: -53.949
where: short stacking energy: -30.440
Base-Backbone interact. energy: 0.429
local terms energy: -52.634321
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: 2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -104.309166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.309166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.309166 (E_RNA)
where:
Base-Base interactions energy: -41.726
where: short stacking energy: -35.386
Base-Backbone interact. energy: -0.202
local terms energy: -62.380701
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -2.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -336.552439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.552439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.552439 (E_RNA)
where:
Base-Base interactions energy: -233.477
where: short stacking energy: -105.752
Base-Backbone interact. energy: -0.027
local terms energy: -103.048758
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -25.637
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: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -348.653862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.653862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.653862 (E_RNA)
where:
Base-Base interactions energy: -249.727
where: short stacking energy: -103.019
Base-Backbone interact. energy: -0.417
local terms energy: -98.510227
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -21.995
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -17.023
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: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -341.354013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.354013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.354013 (E_RNA)
where:
Base-Base interactions energy: -239.467
where: short stacking energy: -83.005
Base-Backbone interact. energy: -1.854
local terms energy: -100.032836
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -347.271843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.271843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.271843 (E_RNA)
where:
Base-Base interactions energy: -249.516
where: short stacking energy: -95.071
Base-Backbone interact. energy: -0.025
local terms energy: -97.730945
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -25.723
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: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -302.269252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.269252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.269252 (E_RNA)
where:
Base-Base interactions energy: -207.805
where: short stacking energy: -86.607
Base-Backbone interact. energy: -0.312
local terms energy: -94.153158
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -22.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -242.489484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.489484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.489484 (E_RNA)
where:
Base-Base interactions energy: -154.704
where: short stacking energy: -69.215
Base-Backbone interact. energy: -0.410
local terms energy: -87.376186
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -19.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -178.155113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.155113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.155113 (E_RNA)
where:
Base-Base interactions energy: -105.732
where: short stacking energy: -59.282
Base-Backbone interact. energy: 0.200
local terms energy: -72.622709
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -147.484920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.484920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.484920 (E_RNA)
where:
Base-Base interactions energy: -77.696
where: short stacking energy: -44.582
Base-Backbone interact. energy: 1.780
local terms energy: -71.568560
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -119.216009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.216009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.216009 (E_RNA)
where:
Base-Base interactions energy: -42.003
where: short stacking energy: -42.003
Base-Backbone interact. energy: -0.103
local terms energy: -77.110230
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -7.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -110.002209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.002209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.002209 (E_RNA)
where:
Base-Base interactions energy: -46.074
where: short stacking energy: -42.491
Base-Backbone interact. energy: -0.480
local terms energy: -63.447651
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -341.185309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.185309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.185309 (E_RNA)
where:
Base-Base interactions energy: -235.366
where: short stacking energy: -105.709
Base-Backbone interact. energy: -0.291
local terms energy: -105.528469
where:
bonds (distance) C4'-P energy: -20.746
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -17.696
tors. eta vs tors. theta energy: -26.129
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: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -346.196721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.196721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.196721 (E_RNA)
where:
Base-Base interactions energy: -250.818
where: short stacking energy: -92.459
Base-Backbone interact. energy: 0.922
local terms energy: -96.300408
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -22.967
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -21.591
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: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -342.422636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.422636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.422636 (E_RNA)
where:
Base-Base interactions energy: -253.386
where: short stacking energy: -93.572
Base-Backbone interact. energy: -0.333
local terms energy: -88.704100
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -16.322
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -307.654177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.654177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.654177 (E_RNA)
where:
Base-Base interactions energy: -216.103
where: short stacking energy: -96.193
Base-Backbone interact. energy: 2.546
local terms energy: -94.096759
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -25.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -340.890648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.890648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.890648 (E_RNA)
where:
Base-Base interactions energy: -246.111
where: short stacking energy: -97.771
Base-Backbone interact. energy: -0.051
local terms energy: -94.728585
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -26.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -240.462120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.462120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.462120 (E_RNA)
where:
Base-Base interactions energy: -153.845
where: short stacking energy: -83.062
Base-Backbone interact. energy: -0.068
local terms energy: -86.548743
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -20.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -185.396814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.396814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.396814 (E_RNA)
where:
Base-Base interactions energy: -110.891
where: short stacking energy: -58.842
Base-Backbone interact. energy: -0.389
local terms energy: -74.117156
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -10.395
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: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -108.929537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.929537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.929537 (E_RNA)
where:
Base-Base interactions energy: -39.730
where: short stacking energy: -38.379
Base-Backbone interact. energy: -1.615
local terms energy: -67.584973
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -130.115230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.115230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.115230 (E_RNA)
where:
Base-Base interactions energy: -69.618
where: short stacking energy: -29.374
Base-Backbone interact. energy: -0.246
local terms energy: -60.251509
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -101.062747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.062747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.062747 (E_RNA)
where:
Base-Base interactions energy: -37.603
where: short stacking energy: -36.822
Base-Backbone interact. energy: 0.154
local terms energy: -63.613616
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -349.508674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.508674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.508674 (E_RNA)
where:
Base-Base interactions energy: -246.942
where: short stacking energy: -90.370
Base-Backbone interact. energy: -0.440
local terms energy: -102.127377
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -23.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -318.745133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.745133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.745133 (E_RNA)
where:
Base-Base interactions energy: -224.928
where: short stacking energy: -92.671
Base-Backbone interact. energy: -0.137
local terms energy: -93.680244
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -23.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -302.851048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.851048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.851048 (E_RNA)
where:
Base-Base interactions energy: -211.454
where: short stacking energy: -86.867
Base-Backbone interact. energy: 0.507
local terms energy: -91.904348
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -20.289
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -335.675144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.675144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.675144 (E_RNA)
where:
Base-Base interactions energy: -238.541
where: short stacking energy: -93.021
Base-Backbone interact. energy: -0.300
local terms energy: -96.833562
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -21.183
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -326.040054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.040054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.040054 (E_RNA)
where:
Base-Base interactions energy: -226.095
where: short stacking energy: -96.441
Base-Backbone interact. energy: -0.023
local terms energy: -99.921959
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -26.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -250.059792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.059792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.059792 (E_RNA)
where:
Base-Base interactions energy: -161.751
where: short stacking energy: -75.910
Base-Backbone interact. energy: -0.610
local terms energy: -87.698487
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -174.944050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.944050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.944050 (E_RNA)
where:
Base-Base interactions energy: -106.908
where: short stacking energy: -58.678
Base-Backbone interact. energy: -0.432
local terms energy: -67.604224
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -5.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -124.146692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.146692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.146692 (E_RNA)
where:
Base-Base interactions energy: -63.252
where: short stacking energy: -41.120
Base-Backbone interact. energy: 0.817
local terms energy: -61.712532
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -12.466
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: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -109.577301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.577301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.577301 (E_RNA)
where:
Base-Base interactions energy: -34.393
where: short stacking energy: -31.819
Base-Backbone interact. energy: 0.534
local terms energy: -75.718011
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -106.612039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.612039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.612039 (E_RNA)
where:
Base-Base interactions energy: -47.162
where: short stacking energy: -37.989
Base-Backbone interact. energy: 0.541
local terms energy: -59.990663
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -356.129480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.129480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.129480 (E_RNA)
where:
Base-Base interactions energy: -258.439
where: short stacking energy: -98.508
Base-Backbone interact. energy: -0.200
local terms energy: -97.490896
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -18.527
tors. eta vs tors. theta energy: -19.728
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: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -340.906838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.906838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.906838 (E_RNA)
where:
Base-Base interactions energy: -244.315
where: short stacking energy: -102.336
Base-Backbone interact. energy: -0.070
local terms energy: -96.522448
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -24.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -303.828560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.828560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.828560 (E_RNA)
where:
Base-Base interactions energy: -208.449
where: short stacking energy: -78.351
Base-Backbone interact. energy: -0.026
local terms energy: -95.352664
where:
bonds (distance) C4'-P energy: -21.410
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -334.660554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.660554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.660554 (E_RNA)
where:
Base-Base interactions energy: -237.751
where: short stacking energy: -96.620
Base-Backbone interact. energy: -0.163
local terms energy: -96.747109
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -25.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -325.199673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.199673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.199673 (E_RNA)
where:
Base-Base interactions energy: -221.156
where: short stacking energy: -92.692
Base-Backbone interact. energy: -0.651
local terms energy: -103.392560
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -22.289
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -25.002
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: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -243.230320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.230320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.230320 (E_RNA)
where:
Base-Base interactions energy: -158.391
where: short stacking energy: -79.283
Base-Backbone interact. energy: -0.002
local terms energy: -84.836888
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -23.747
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: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -183.280024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.280024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.280024 (E_RNA)
where:
Base-Base interactions energy: -112.532
where: short stacking energy: -69.861
Base-Backbone interact. energy: 1.784
local terms energy: -72.531900
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -18.782
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -13.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -109.900719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.900719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.900719 (E_RNA)
where:
Base-Base interactions energy: -38.511
where: short stacking energy: -33.044
Base-Backbone interact. energy: 1.638
local terms energy: -73.027948
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -130.856868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.856868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.856868 (E_RNA)
where:
Base-Base interactions energy: -50.685
where: short stacking energy: -40.146
Base-Backbone interact. energy: -0.403
local terms energy: -79.768416
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -105.440672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.440672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.440672 (E_RNA)
where:
Base-Base interactions energy: -47.334
where: short stacking energy: -33.121
Base-Backbone interact. energy: 1.279
local terms energy: -59.384975
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -346.820842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.820842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.820842 (E_RNA)
where:
Base-Base interactions energy: -253.075
where: short stacking energy: -100.684
Base-Backbone interact. energy: 2.237
local terms energy: -95.983153
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -15.944
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: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -354.314798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.314798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.314798 (E_RNA)
where:
Base-Base interactions energy: -254.591
where: short stacking energy: -93.157
Base-Backbone interact. energy: 1.983
local terms energy: -101.706839
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -307.484969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.484969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.484969 (E_RNA)
where:
Base-Base interactions energy: -215.410
where: short stacking energy: -93.900
Base-Backbone interact. energy: -0.176
local terms energy: -91.899294
where:
bonds (distance) C4'-P energy: -22.008
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -20.438
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -331.417246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.417246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.417246 (E_RNA)
where:
Base-Base interactions energy: -231.216
where: short stacking energy: -91.464
Base-Backbone interact. energy: -1.100
local terms energy: -99.100763
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -23.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -332.777067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.777067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.777067 (E_RNA)
where:
Base-Base interactions energy: -239.546
where: short stacking energy: -90.803
Base-Backbone interact. energy: -0.542
local terms energy: -92.689185
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -24.068
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: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -251.928574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.928574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.928574 (E_RNA)
where:
Base-Base interactions energy: -168.892
where: short stacking energy: -90.557
Base-Backbone interact. energy: -0.056
local terms energy: -82.980878
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -216.739742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.739742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.739742 (E_RNA)
where:
Base-Base interactions energy: -140.568
where: short stacking energy: -65.442
Base-Backbone interact. energy: -1.350
local terms energy: -74.821791
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -145.235394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.235394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.235394 (E_RNA)
where:
Base-Base interactions energy: -84.724
where: short stacking energy: -38.115
Base-Backbone interact. energy: -0.400
local terms energy: -60.112224
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -121.209856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.209856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.209856 (E_RNA)
where:
Base-Base interactions energy: -61.722
where: short stacking energy: -46.054
Base-Backbone interact. energy: -0.187
local terms energy: -59.300930
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -114.616384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.616384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.616384 (E_RNA)
where:
Base-Base interactions energy: -51.525
where: short stacking energy: -36.007
Base-Backbone interact. energy: -0.377
local terms energy: -62.713563
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: 0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -353.016679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.016679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.016679 (E_RNA)
where:
Base-Base interactions energy: -252.309
where: short stacking energy: -102.070
Base-Backbone interact. energy: 0.256
local terms energy: -100.963907
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -348.105536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.105536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.105536 (E_RNA)
where:
Base-Base interactions energy: -245.343
where: short stacking energy: -86.269
Base-Backbone interact. energy: -0.320
local terms energy: -102.441989
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -16.359
tors. eta vs tors. theta energy: -22.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -320.239438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.239438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.239438 (E_RNA)
where:
Base-Base interactions energy: -219.455
where: short stacking energy: -98.787
Base-Backbone interact. energy: -0.301
local terms energy: -100.483379
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -30.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -323.105477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.105477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.105477 (E_RNA)
where:
Base-Base interactions energy: -224.260
where: short stacking energy: -93.286
Base-Backbone interact. energy: -0.298
local terms energy: -98.547816
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -23.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -325.365805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.365805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.365805 (E_RNA)
where:
Base-Base interactions energy: -231.223
where: short stacking energy: -97.913
Base-Backbone interact. energy: 0.997
local terms energy: -95.139421
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -25.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -221.247663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.247663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.247663 (E_RNA)
where:
Base-Base interactions energy: -150.173
where: short stacking energy: -62.764
Base-Backbone interact. energy: -0.416
local terms energy: -70.657935
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -21.280
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -8.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -234.934767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.934767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.934767 (E_RNA)
where:
Base-Base interactions energy: -142.900
where: short stacking energy: -69.456
Base-Backbone interact. energy: -0.017
local terms energy: -92.017106
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -21.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -141.971024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.971024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.971024 (E_RNA)
where:
Base-Base interactions energy: -85.193
where: short stacking energy: -44.893
Base-Backbone interact. energy: -0.228
local terms energy: -56.550358
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -12.499
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: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -101.904070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.904070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.904070 (E_RNA)
where:
Base-Base interactions energy: -36.493
where: short stacking energy: -36.493
Base-Backbone interact. energy: -0.677
local terms energy: -64.734449
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -103.048894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.048894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.048894 (E_RNA)
where:
Base-Base interactions energy: -33.634
where: short stacking energy: -30.920
Base-Backbone interact. energy: -0.164
local terms energy: -69.251209
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -8.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -353.319792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.319792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.319792 (E_RNA)
where:
Base-Base interactions energy: -251.874
where: short stacking energy: -99.085
Base-Backbone interact. energy: -0.934
local terms energy: -100.511556
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -22.230
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -21.914
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: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -349.869217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.869217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.869217 (E_RNA)
where:
Base-Base interactions energy: -249.170
where: short stacking energy: -91.901
Base-Backbone interact. energy: -0.647
local terms energy: -100.052628
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -21.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -333.150949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.150949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.150949 (E_RNA)
where:
Base-Base interactions energy: -240.452
where: short stacking energy: -86.894
Base-Backbone interact. energy: 0.475
local terms energy: -93.174014
where:
bonds (distance) C4'-P energy: -23.349
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -309.924096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.924096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.924096 (E_RNA)
where:
Base-Base interactions energy: -213.742
where: short stacking energy: -96.608
Base-Backbone interact. energy: -0.022
local terms energy: -96.160517
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -26.109
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: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -336.099932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.099932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.099932 (E_RNA)
where:
Base-Base interactions energy: -238.558
where: short stacking energy: -99.247
Base-Backbone interact. energy: -1.392
local terms energy: -96.149413
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -22.698
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -23.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -232.277222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.277222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.277222 (E_RNA)
where:
Base-Base interactions energy: -152.628
where: short stacking energy: -58.029
Base-Backbone interact. energy: 0.678
local terms energy: -80.327388
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -13.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -239.539692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.539692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.539692 (E_RNA)
where:
Base-Base interactions energy: -147.529
where: short stacking energy: -74.395
Base-Backbone interact. energy: -0.003
local terms energy: -92.008150
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -154.520856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.520856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.520856 (E_RNA)
where:
Base-Base interactions energy: -88.639
where: short stacking energy: -49.676
Base-Backbone interact. energy: 0.107
local terms energy: -65.988018
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: 2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -122.833344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.833344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.833344 (E_RNA)
where:
Base-Base interactions energy: -46.815
where: short stacking energy: -45.710
Base-Backbone interact. energy: -0.201
local terms energy: -75.817404
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -11.120
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: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -104.722596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.722596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.722596 (E_RNA)
where:
Base-Base interactions energy: -39.014
where: short stacking energy: -26.541
Base-Backbone interact. energy: -0.284
local terms energy: -65.425184
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -352.299123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.299123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.299123 (E_RNA)
where:
Base-Base interactions energy: -244.031
where: short stacking energy: -98.336
Base-Backbone interact. energy: -0.514
local terms energy: -107.753450
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -21.647
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -16.429
tors. eta vs tors. theta energy: -25.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -347.638740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.638740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.638740 (E_RNA)
where:
Base-Base interactions energy: -245.094
where: short stacking energy: -89.364
Base-Backbone interact. energy: -0.245
local terms energy: -102.299167
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -23.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -347.751605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.751605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.751605 (E_RNA)
where:
Base-Base interactions energy: -258.654
where: short stacking energy: -86.052
Base-Backbone interact. energy: -0.370
local terms energy: -88.727399
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -332.830171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.830171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.830171 (E_RNA)
where:
Base-Base interactions energy: -230.938
where: short stacking energy: -91.768
Base-Backbone interact. energy: 0.020
local terms energy: -101.911933
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -28.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -312.477468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.477468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.477468 (E_RNA)
where:
Base-Base interactions energy: -213.747
where: short stacking energy: -93.370
Base-Backbone interact. energy: 0.785
local terms energy: -99.515620
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -23.206
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: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -230.354644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.354644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.354644 (E_RNA)
where:
Base-Base interactions energy: -137.720
where: short stacking energy: -72.596
Base-Backbone interact. energy: -0.009
local terms energy: -92.625638
where:
bonds (distance) C4'-P energy: -21.342
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -21.053
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: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -236.463085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.463085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.463085 (E_RNA)
where:
Base-Base interactions energy: -152.176
where: short stacking energy: -67.175
Base-Backbone interact. energy: -0.374
local terms energy: -83.912931
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -20.349
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -14.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -109.406659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.406659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.406659 (E_RNA)
where:
Base-Base interactions energy: -39.564
where: short stacking energy: -39.525
Base-Backbone interact. energy: -0.016
local terms energy: -69.826460
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -7.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -173.848274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.848274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.848274 (E_RNA)
where:
Base-Base interactions energy: -98.552
where: short stacking energy: -57.660
Base-Backbone interact. energy: -0.283
local terms energy: -75.012830
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -14.064
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: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -101.995777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.995777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.995777 (E_RNA)
where:
Base-Base interactions energy: -32.484
where: short stacking energy: -32.484
Base-Backbone interact. energy: -1.196
local terms energy: -68.315066
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -5.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -353.733763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.733763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.733763 (E_RNA)
where:
Base-Base interactions energy: -246.631
where: short stacking energy: -102.341
Base-Backbone interact. energy: -0.387
local terms energy: -106.715888
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -25.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -344.514928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.514928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.514928 (E_RNA)
where:
Base-Base interactions energy: -245.920
where: short stacking energy: -98.661
Base-Backbone interact. energy: 0.463
local terms energy: -99.057965
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -21.349
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: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -353.930670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.930670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.930670 (E_RNA)
where:
Base-Base interactions energy: -261.288
where: short stacking energy: -88.863
Base-Backbone interact. energy: 2.504
local terms energy: -95.146916
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -22.589
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -22.955
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: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -338.429574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.429574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.429574 (E_RNA)
where:
Base-Base interactions energy: -237.902
where: short stacking energy: -107.728
Base-Backbone interact. energy: -0.009
local terms energy: -100.518681
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -29.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -310.991694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.991694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.991694 (E_RNA)
where:
Base-Base interactions energy: -217.696
where: short stacking energy: -92.865
Base-Backbone interact. energy: -0.885
local terms energy: -92.411214
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -18.568
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -17.946
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: 292
Temperature: 1.150000
Total energy: -246.721498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.721498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.721498 (E_RNA)
where:
Base-Base interactions energy: -153.301
where: short stacking energy: -68.896
Base-Backbone interact. energy: -0.136
local terms energy: -93.284276
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -19.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -226.292407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.292407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.292407 (E_RNA)
where:
Base-Base interactions energy: -147.574
where: short stacking energy: -49.293
Base-Backbone interact. energy: -0.563
local terms energy: -78.154519
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -10.217
flat angles P-C4'-P energy: -13.848
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: 8, replica: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -125.104650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.104650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.104650 (E_RNA)
where:
Base-Base interactions energy: -52.280
where: short stacking energy: -43.177
Base-Backbone interact. energy: -0.478
local terms energy: -72.346681
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -160.139537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.139537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.139537 (E_RNA)
where:
Base-Base interactions energy: -93.981
where: short stacking energy: -52.315
Base-Backbone interact. energy: -0.389
local terms energy: -65.769552
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -20.658
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -108.083254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.083254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.083254 (E_RNA)
where:
Base-Base interactions energy: -46.679
where: short stacking energy: -36.055
Base-Backbone interact. energy: -0.317
local terms energy: -61.087936
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -10.816
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: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -344.552727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.552727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.552727 (E_RNA)
where:
Base-Base interactions energy: -247.310
where: short stacking energy: -99.236
Base-Backbone interact. energy: -0.254
local terms energy: -96.988841
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -12.371
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: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -360.324725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.324725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.324725 (E_RNA)
where:
Base-Base interactions energy: -262.718
where: short stacking energy: -88.087
Base-Backbone interact. energy: 0.023
local terms energy: -97.630315
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -14.954
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: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -335.317936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.317936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.317936 (E_RNA)
where:
Base-Base interactions energy: -234.476
where: short stacking energy: -93.730
Base-Backbone interact. energy: -0.389
local terms energy: -100.452210
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -25.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -341.525850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.525850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.525850 (E_RNA)
where:
Base-Base interactions energy: -238.572
where: short stacking energy: -98.995
Base-Backbone interact. energy: -0.024
local terms energy: -102.929825
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -26.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -315.990228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.990228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.990228 (E_RNA)
where:
Base-Base interactions energy: -217.303
where: short stacking energy: -106.195
Base-Backbone interact. energy: -0.057
local terms energy: -98.630670
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -25.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -241.585786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.585786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.585786 (E_RNA)
where:
Base-Base interactions energy: -153.593
where: short stacking energy: -76.411
Base-Backbone interact. energy: -0.046
local terms energy: -87.947551
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -19.057
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: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -232.752441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.752441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.752441 (E_RNA)
where:
Base-Base interactions energy: -151.295
where: short stacking energy: -73.679
Base-Backbone interact. energy: -1.429
local terms energy: -80.028672
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -166.113376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.113376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.113376 (E_RNA)
where:
Base-Base interactions energy: -89.238
where: short stacking energy: -47.179
Base-Backbone interact. energy: -0.584
local terms energy: -76.291569
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -8.199
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: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -105.351761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.351761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.351761 (E_RNA)
where:
Base-Base interactions energy: -39.526
where: short stacking energy: -39.403
Base-Backbone interact. energy: -0.003
local terms energy: -65.822936
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -7.499
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: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -105.086970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.086970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.086970 (E_RNA)
where:
Base-Base interactions energy: -34.118
where: short stacking energy: -25.119
Base-Backbone interact. energy: 0.507
local terms energy: -71.475833
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -349.298337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.298337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.298337 (E_RNA)
where:
Base-Base interactions energy: -245.867
where: short stacking energy: -99.801
Base-Backbone interact. energy: 0.218
local terms energy: -103.649409
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -23.621
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: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -354.911293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.911293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.911293 (E_RNA)
where:
Base-Base interactions energy: -246.076
where: short stacking energy: -97.048
Base-Backbone interact. energy: 0.375
local terms energy: -109.209945
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -22.642
flat angles P-C4'-P energy: -19.833
tors. eta vs tors. theta energy: -22.165
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: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -343.427352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.427352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.427352 (E_RNA)
where:
Base-Base interactions energy: -237.748
where: short stacking energy: -93.609
Base-Backbone interact. energy: -0.411
local terms energy: -105.268307
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -26.248
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: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -317.909112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.909112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.909112 (E_RNA)
where:
Base-Base interactions energy: -226.443
where: short stacking energy: -93.396
Base-Backbone interact. energy: 0.979
local terms energy: -92.444874
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -21.744
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: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -293.062938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.062938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.062938 (E_RNA)
where:
Base-Base interactions energy: -196.948
where: short stacking energy: -83.599
Base-Backbone interact. energy: -0.128
local terms energy: -95.987197
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -24.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -230.588941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.588941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.588941 (E_RNA)
where:
Base-Base interactions energy: -144.822
where: short stacking energy: -68.597
Base-Backbone interact. energy: -0.018
local terms energy: -85.748854
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -246.521385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.521385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.521385 (E_RNA)
where:
Base-Base interactions energy: -168.924
where: short stacking energy: -71.148
Base-Backbone interact. energy: -0.068
local terms energy: -77.529607
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -153.769151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.769151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.769151 (E_RNA)
where:
Base-Base interactions energy: -81.725
where: short stacking energy: -47.995
Base-Backbone interact. energy: -0.393
local terms energy: -71.650629
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -106.745167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.745167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.745167 (E_RNA)
where:
Base-Base interactions energy: -40.055
where: short stacking energy: -38.268
Base-Backbone interact. energy: 1.793
local terms energy: -68.482889
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -100.254033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.254033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.254033 (E_RNA)
where:
Base-Base interactions energy: -31.609
where: short stacking energy: -31.609
Base-Backbone interact. energy: -0.202
local terms energy: -68.442881
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -12.538
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: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -352.049253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.049253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.049253 (E_RNA)
where:
Base-Base interactions energy: -252.517
where: short stacking energy: -92.632
Base-Backbone interact. energy: -0.300
local terms energy: -99.232065
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -348.052584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.052584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.052584 (E_RNA)
where:
Base-Base interactions energy: -247.782
where: short stacking energy: -100.759
Base-Backbone interact. energy: -0.184
local terms energy: -100.086746
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -27.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -356.960830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.960830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.960830 (E_RNA)
where:
Base-Base interactions energy: -251.331
where: short stacking energy: -87.786
Base-Backbone interact. energy: -0.213
local terms energy: -105.417439
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -24.655
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: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -309.687213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.687213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.687213 (E_RNA)
where:
Base-Base interactions energy: -213.927
where: short stacking energy: -91.178
Base-Backbone interact. energy: -0.355
local terms energy: -95.405724
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -295.651603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.651603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.651603 (E_RNA)
where:
Base-Base interactions energy: -201.349
where: short stacking energy: -81.575
Base-Backbone interact. energy: -0.140
local terms energy: -94.162897
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -232.772901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.772901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.772901 (E_RNA)
where:
Base-Base interactions energy: -147.181
where: short stacking energy: -65.382
Base-Backbone interact. energy: -0.279
local terms energy: -85.312395
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -242.614293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.614293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.614293 (E_RNA)
where:
Base-Base interactions energy: -146.467
where: short stacking energy: -78.183
Base-Backbone interact. energy: -0.013
local terms energy: -96.133926
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -23.378
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -23.160
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: 295
Temperature: 1.250000
Total energy: -147.855914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.855914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.855914 (E_RNA)
where:
Base-Base interactions energy: -81.820
where: short stacking energy: -36.803
Base-Backbone interact. energy: -0.589
local terms energy: -65.446734
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -11.852
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: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -119.161788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.161788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.161788 (E_RNA)
where:
Base-Base interactions energy: -52.568
where: short stacking energy: -51.351
Base-Backbone interact. energy: -0.338
local terms energy: -66.255908
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -9.982
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: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -99.294340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.294340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.294340 (E_RNA)
where:
Base-Base interactions energy: -33.574
where: short stacking energy: -32.702
Base-Backbone interact. energy: -0.185
local terms energy: -65.535037
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -8.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -353.339463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.339463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.339463 (E_RNA)
where:
Base-Base interactions energy: -247.588
where: short stacking energy: -97.757
Base-Backbone interact. energy: -0.318
local terms energy: -105.433714
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -341.181286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.181286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.181286 (E_RNA)
where:
Base-Base interactions energy: -250.589
where: short stacking energy: -93.716
Base-Backbone interact. energy: -0.820
local terms energy: -89.771798
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: -24.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -349.239060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.239060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.239060 (E_RNA)
where:
Base-Base interactions energy: -254.686
where: short stacking energy: -92.920
Base-Backbone interact. energy: -0.254
local terms energy: -94.299336
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -23.978
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -21.595
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: 296
Temperature: 1.050000
Total energy: -316.449904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.449904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.449904 (E_RNA)
where:
Base-Base interactions energy: -220.065
where: short stacking energy: -86.381
Base-Backbone interact. energy: -0.174
local terms energy: -96.210597
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -21.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -250.353560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.353560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.353560 (E_RNA)
where:
Base-Base interactions energy: -173.777
where: short stacking energy: -70.520
Base-Backbone interact. energy: -1.049
local terms energy: -75.527618
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -294.233319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.233319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.233319 (E_RNA)
where:
Base-Base interactions energy: -203.538
where: short stacking energy: -88.482
Base-Backbone interact. energy: -0.632
local terms energy: -90.062646
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -15.656
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: 7, replica: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -237.574710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.574710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.574710 (E_RNA)
where:
Base-Base interactions energy: -150.304
where: short stacking energy: -76.278
Base-Backbone interact. energy: -0.144
local terms energy: -87.126419
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -21.201
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: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -132.369196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.369196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.369196 (E_RNA)
where:
Base-Base interactions energy: -59.961
where: short stacking energy: -30.684
Base-Backbone interact. energy: 1.273
local terms energy: -73.681412
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -112.560678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.560678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.560678 (E_RNA)
where:
Base-Base interactions energy: -39.715
where: short stacking energy: -37.825
Base-Backbone interact. energy: -0.187
local terms energy: -72.658866
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -102.609600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.609600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.609600 (E_RNA)
where:
Base-Base interactions energy: -40.121
where: short stacking energy: -35.211
Base-Backbone interact. energy: 1.285
local terms energy: -63.774422
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -354.439085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.439085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.439085 (E_RNA)
where:
Base-Base interactions energy: -252.034
where: short stacking energy: -103.138
Base-Backbone interact. energy: -0.150
local terms energy: -102.254969
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -25.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -355.849252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.849252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.849252 (E_RNA)
where:
Base-Base interactions energy: -262.490
where: short stacking energy: -87.829
Base-Backbone interact. energy: -0.450
local terms energy: -92.909152
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -14.831
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: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -349.291694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.291694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.291694 (E_RNA)
where:
Base-Base interactions energy: -251.749
where: short stacking energy: -94.648
Base-Backbone interact. energy: -0.753
local terms energy: -96.789093
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -22.677
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -22.960
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: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -318.793015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.793015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.793015 (E_RNA)
where:
Base-Base interactions energy: -228.584
where: short stacking energy: -99.944
Base-Backbone interact. energy: 0.663
local terms energy: -90.872137
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -242.524399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.524399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.524399 (E_RNA)
where:
Base-Base interactions energy: -162.656
where: short stacking energy: -70.363
Base-Backbone interact. energy: -0.537
local terms energy: -79.331109
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -245.491204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.491204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.491204 (E_RNA)
where:
Base-Base interactions energy: -159.898
where: short stacking energy: -76.214
Base-Backbone interact. energy: -0.025
local terms energy: -85.568482
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -9.279
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: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -288.290317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.290317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.290317 (E_RNA)
where:
Base-Base interactions energy: -207.354
where: short stacking energy: -77.853
Base-Backbone interact. energy: -0.226
local terms energy: -80.710472
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -20.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -157.639077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.639077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.639077 (E_RNA)
where:
Base-Base interactions energy: -94.705
where: short stacking energy: -41.942
Base-Backbone interact. energy: -0.175
local terms energy: -62.759406
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: 0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -101.655541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.655541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.655541 (E_RNA)
where:
Base-Base interactions energy: -34.425
where: short stacking energy: -27.172
Base-Backbone interact. energy: -1.111
local terms energy: -66.119610
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: 0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -110.574255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.574255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.574255 (E_RNA)
where:
Base-Base interactions energy: -46.538
where: short stacking energy: -32.249
Base-Backbone interact. energy: -0.200
local terms energy: -63.836086
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -13.355
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: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -350.071062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.071062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.071062 (E_RNA)
where:
Base-Base interactions energy: -254.111
where: short stacking energy: -99.018
Base-Backbone interact. energy: -0.715
local terms energy: -95.245762
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -354.604930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.604930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.604930 (E_RNA)
where:
Base-Base interactions energy: -264.540
where: short stacking energy: -86.969
Base-Backbone interact. energy: 0.161
local terms energy: -90.225961
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -21.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -319.848140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.848140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.848140 (E_RNA)
where:
Base-Base interactions energy: -219.515
where: short stacking energy: -107.897
Base-Backbone interact. energy: -0.088
local terms energy: -100.245459
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -27.640
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: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -338.747695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.747695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.747695 (E_RNA)
where:
Base-Base interactions energy: -245.143
where: short stacking energy: -91.261
Base-Backbone interact. energy: 0.278
local terms energy: -93.882733
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -267.216380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.216380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.216380 (E_RNA)
where:
Base-Base interactions energy: -173.592
where: short stacking energy: -76.268
Base-Backbone interact. energy: -0.137
local terms energy: -93.487355
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -15.874
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: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -240.638489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.638489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.638489 (E_RNA)
where:
Base-Base interactions energy: -159.417
where: short stacking energy: -87.471
Base-Backbone interact. energy: -0.205
local terms energy: -81.016083
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -21.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -268.505813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.505813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.505813 (E_RNA)
where:
Base-Base interactions energy: -186.710
where: short stacking energy: -81.911
Base-Backbone interact. energy: 1.469
local terms energy: -83.264829
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -19.427
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: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -157.271382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.271382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.271382 (E_RNA)
where:
Base-Base interactions energy: -84.254
where: short stacking energy: -42.086
Base-Backbone interact. energy: -0.367
local terms energy: -72.650496
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -13.620
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: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -112.262321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.262321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.262321 (E_RNA)
where:
Base-Base interactions energy: -56.526
where: short stacking energy: -34.987
Base-Backbone interact. energy: -0.978
local terms energy: -54.757410
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -99.089310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.089310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.089310 (E_RNA)
where:
Base-Base interactions energy: -44.148
where: short stacking energy: -27.313
Base-Backbone interact. energy: -0.271
local terms energy: -54.670120
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: 2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -354.452466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.452466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.452466 (E_RNA)
where:
Base-Base interactions energy: -258.824
where: short stacking energy: -103.852
Base-Backbone interact. energy: -0.081
local terms energy: -95.548056
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -23.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -357.708393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.708393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.708393 (E_RNA)
where:
Base-Base interactions energy: -254.877
where: short stacking energy: -82.358
Base-Backbone interact. energy: 0.034
local terms energy: -102.865658
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -22.547
flat angles P-C4'-P energy: -17.871
tors. eta vs tors. theta energy: -22.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -338.558183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.558183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.558183 (E_RNA)
where:
Base-Base interactions energy: -238.080
where: short stacking energy: -92.921
Base-Backbone interact. energy: -0.157
local terms energy: -100.320814
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -332.214023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.214023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.214023 (E_RNA)
where:
Base-Base interactions energy: -245.132
where: short stacking energy: -91.995
Base-Backbone interact. energy: -0.320
local terms energy: -86.762363
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -22.279
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -264.237025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.237025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.237025 (E_RNA)
where:
Base-Base interactions energy: -175.761
where: short stacking energy: -83.450
Base-Backbone interact. energy: -0.075
local terms energy: -88.400683
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -19.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -256.733307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.733307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.733307 (E_RNA)
where:
Base-Base interactions energy: -172.331
where: short stacking energy: -83.490
Base-Backbone interact. energy: 0.194
local terms energy: -84.595826
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -238.924640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.924640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.924640 (E_RNA)
where:
Base-Base interactions energy: -143.319
where: short stacking energy: -64.591
Base-Backbone interact. energy: -1.572
local terms energy: -94.034040
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -18.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -147.962755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.962755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.962755 (E_RNA)
where:
Base-Base interactions energy: -69.920
where: short stacking energy: -42.262
Base-Backbone interact. energy: -0.567
local terms energy: -77.476043
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -9.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -143.988937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.988937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.988937 (E_RNA)
where:
Base-Base interactions energy: -69.369
where: short stacking energy: -28.640
Base-Backbone interact. energy: -0.240
local terms energy: -74.380307
where:
bonds (distance) C4'-P energy: -22.361
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -12.174
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: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -96.088276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.088276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.088276 (E_RNA)
where:
Base-Base interactions energy: -33.652
where: short stacking energy: -26.510
Base-Backbone interact. energy: -0.058
local terms energy: -62.378304
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -358.887952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.887952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.887952 (E_RNA)
where:
Base-Base interactions energy: -251.498
where: short stacking energy: -101.506
Base-Backbone interact. energy: -0.073
local terms energy: -107.316868
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -22.007
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -25.775
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: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -359.678803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.678803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.678803 (E_RNA)
where:
Base-Base interactions energy: -266.451
where: short stacking energy: -88.754
Base-Backbone interact. energy: -0.425
local terms energy: -92.803050
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -19.983
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: 300
Temperature: 1.000000
Total energy: -332.520275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.520275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.520275 (E_RNA)
where:
Base-Base interactions energy: -234.969
where: short stacking energy: -94.276
Base-Backbone interact. energy: 0.332
local terms energy: -97.883542
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -18.005
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -315.100798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.100798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.100798 (E_RNA)
where:
Base-Base interactions energy: -219.060
where: short stacking energy: -81.385
Base-Backbone interact. energy: -0.558
local terms energy: -95.483607
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -23.340
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -317.917376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.917376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.917376 (E_RNA)
where:
Base-Base interactions energy: -230.235
where: short stacking energy: -96.044
Base-Backbone interact. energy: -0.156
local terms energy: -87.526207
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -26.576
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: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -254.692113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.692113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.692113 (E_RNA)
where:
Base-Base interactions energy: -169.236
where: short stacking energy: -78.954
Base-Backbone interact. energy: -1.076
local terms energy: -84.380439
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -254.338851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.338851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.338851 (E_RNA)
where:
Base-Base interactions energy: -173.544
where: short stacking energy: -80.802
Base-Backbone interact. energy: -1.042
local terms energy: -79.752690
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -112.349461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.349461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.349461 (E_RNA)
where:
Base-Base interactions energy: -34.522
where: short stacking energy: -34.522
Base-Backbone interact. energy: -0.132
local terms energy: -77.695593
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -92.059799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.059799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.059799 (E_RNA)
where:
Base-Base interactions energy: -32.569
where: short stacking energy: -21.682
Base-Backbone interact. energy: -0.225
local terms energy: -59.266138
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -9.011
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: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -125.467149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.467149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.467149 (E_RNA)
where:
Base-Base interactions energy: -53.745
where: short stacking energy: -30.496
Base-Backbone interact. energy: -0.202
local terms energy: -71.519787
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -11.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -358.381450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.381450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.381450 (E_RNA)
where:
Base-Base interactions energy: -248.851
where: short stacking energy: -103.005
Base-Backbone interact. energy: -0.012
local terms energy: -109.517762
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -27.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -366.186505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.186505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.186505 (E_RNA)
where:
Base-Base interactions energy: -262.827
where: short stacking energy: -90.700
Base-Backbone interact. energy: -0.433
local terms energy: -102.926559
where:
bonds (distance) C4'-P energy: -21.085
bonds (distance) P-C4' energy: -22.368
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -339.417778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.417778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.417778 (E_RNA)
where:
Base-Base interactions energy: -241.460
where: short stacking energy: -87.034
Base-Backbone interact. energy: -0.367
local terms energy: -97.590747
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -21.350
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -14.597
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: 4, replica: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -323.592969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.592969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.592969 (E_RNA)
where:
Base-Base interactions energy: -231.494
where: short stacking energy: -92.929
Base-Backbone interact. energy: -0.588
local terms energy: -91.510499
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -12.592
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: 5, replica: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -327.974385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.974385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.974385 (E_RNA)
where:
Base-Base interactions energy: -229.352
where: short stacking energy: -84.389
Base-Backbone interact. energy: -0.493
local terms energy: -98.129183
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -23.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -276.427818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.427818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.427818 (E_RNA)
where:
Base-Base interactions energy: -198.562
where: short stacking energy: -81.558
Base-Backbone interact. energy: -0.402
local terms energy: -77.464439
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -16.259
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: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -240.076300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.076300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.076300 (E_RNA)
where:
Base-Base interactions energy: -165.218
where: short stacking energy: -74.323
Base-Backbone interact. energy: -0.441
local terms energy: -74.417223
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -20.289
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -131.084460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.084460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.084460 (E_RNA)
where:
Base-Base interactions energy: -63.229
where: short stacking energy: -48.450
Base-Backbone interact. energy: 1.547
local terms energy: -69.402105
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -99.575526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.575526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.575526 (E_RNA)
where:
Base-Base interactions energy: -39.901
where: short stacking energy: -38.501
Base-Backbone interact. energy: -0.189
local terms energy: -59.485531
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -100.128838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.128838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.128838 (E_RNA)
where:
Base-Base interactions energy: -43.623
where: short stacking energy: -35.123
Base-Backbone interact. energy: -0.669
local terms energy: -55.836364
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: 0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -356.009135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.009135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.009135 (E_RNA)
where:
Base-Base interactions energy: -253.398
where: short stacking energy: -89.439
Base-Backbone interact. energy: -0.477
local terms energy: -102.133504
where:
bonds (distance) C4'-P energy: -23.284
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -16.226
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: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -354.740353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.740353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.740353 (E_RNA)
where:
Base-Base interactions energy: -247.091
where: short stacking energy: -104.276
Base-Backbone interact. energy: -0.074
local terms energy: -107.575844
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -343.060115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.060115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.060115 (E_RNA)
where:
Base-Base interactions energy: -246.860
where: short stacking energy: -91.459
Base-Backbone interact. energy: -0.102
local terms energy: -96.097944
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -22.312
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -22.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -323.094353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.094353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.094353 (E_RNA)
where:
Base-Base interactions energy: -218.358
where: short stacking energy: -91.586
Base-Backbone interact. energy: -0.245
local terms energy: -104.490572
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -23.318
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -23.855
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: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -338.004057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.004057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.004057 (E_RNA)
where:
Base-Base interactions energy: -237.644
where: short stacking energy: -85.752
Base-Backbone interact. energy: -0.142
local terms energy: -100.217739
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -25.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -274.018794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.018794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.018794 (E_RNA)
where:
Base-Base interactions energy: -189.265
where: short stacking energy: -85.707
Base-Backbone interact. energy: 0.548
local terms energy: -85.301791
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -14.719
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: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -260.235534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.235534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.235534 (E_RNA)
where:
Base-Base interactions energy: -174.755
where: short stacking energy: -73.869
Base-Backbone interact. energy: -0.287
local terms energy: -85.193923
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -15.715
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: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -180.086441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.086441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.086441 (E_RNA)
where:
Base-Base interactions energy: -104.761
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.045
local terms energy: -75.280150
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -136.116064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.116064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.116064 (E_RNA)
where:
Base-Base interactions energy: -56.786
where: short stacking energy: -30.484
Base-Backbone interact. energy: -1.321
local terms energy: -78.009051
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -9.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -107.299602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.299602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.299602 (E_RNA)
where:
Base-Base interactions energy: -47.528
where: short stacking energy: -42.466
Base-Backbone interact. energy: -0.074
local terms energy: -59.697528
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -349.464624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.464624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.464624 (E_RNA)
where:
Base-Base interactions energy: -250.907
where: short stacking energy: -98.027
Base-Backbone interact. energy: -0.058
local terms energy: -98.500010
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -18.708
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -22.574
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: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -353.902950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.902950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.902950 (E_RNA)
where:
Base-Base interactions energy: -246.378
where: short stacking energy: -91.515
Base-Backbone interact. energy: -0.781
local terms energy: -106.744427
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -24.952
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: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -342.009115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.009115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.009115 (E_RNA)
where:
Base-Base interactions energy: -237.842
where: short stacking energy: -104.073
Base-Backbone interact. energy: -0.001
local terms energy: -104.165628
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -26.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -336.138983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.138983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.138983 (E_RNA)
where:
Base-Base interactions energy: -242.381
where: short stacking energy: -93.521
Base-Backbone interact. energy: -0.228
local terms energy: -93.529882
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -21.925
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -319.004392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.004392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.004392 (E_RNA)
where:
Base-Base interactions energy: -229.496
where: short stacking energy: -95.875
Base-Backbone interact. energy: -0.611
local terms energy: -88.897081
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -25.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -261.348094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.348094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.348094 (E_RNA)
where:
Base-Base interactions energy: -170.758
where: short stacking energy: -76.344
Base-Backbone interact. energy: -0.153
local terms energy: -90.437479
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -15.347
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: 7, replica: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -224.351818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.351818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.351818 (E_RNA)
where:
Base-Base interactions energy: -142.269
where: short stacking energy: -69.042
Base-Backbone interact. energy: -0.260
local terms energy: -81.822424
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -17.678
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: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -164.566525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.566525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.566525 (E_RNA)
where:
Base-Base interactions energy: -77.560
where: short stacking energy: -36.867
Base-Backbone interact. energy: -0.055
local terms energy: -86.952230
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -23.198
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -126.490945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.490945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.490945 (E_RNA)
where:
Base-Base interactions energy: -66.477
where: short stacking energy: -24.705
Base-Backbone interact. energy: -0.568
local terms energy: -59.446041
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -12.686
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: 303
Temperature: 1.350000
Total energy: -102.232162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.232162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.232162 (E_RNA)
where:
Base-Base interactions energy: -41.842
where: short stacking energy: -23.717
Base-Backbone interact. energy: -0.232
local terms energy: -60.158539
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: 1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -350.803468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.803468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.803468 (E_RNA)
where:
Base-Base interactions energy: -249.895
where: short stacking energy: -94.122
Base-Backbone interact. energy: -0.209
local terms energy: -100.699611
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -26.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -349.930699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.930699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.930699 (E_RNA)
where:
Base-Base interactions energy: -256.343
where: short stacking energy: -96.881
Base-Backbone interact. energy: -0.318
local terms energy: -93.270326
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -21.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -358.410400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.410400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.410400 (E_RNA)
where:
Base-Base interactions energy: -252.039
where: short stacking energy: -106.086
Base-Backbone interact. energy: 0.636
local terms energy: -107.007007
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -25.096
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -25.653
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: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -336.531142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.531142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.531142 (E_RNA)
where:
Base-Base interactions energy: -240.458
where: short stacking energy: -88.318
Base-Backbone interact. energy: -0.816
local terms energy: -95.256822
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -23.367
flat angles C4'-P-C4' energy: -21.965
flat angles P-C4'-P energy: -15.539
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: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -310.937680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.937680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.937680 (E_RNA)
where:
Base-Base interactions energy: -212.380
where: short stacking energy: -90.950
Base-Backbone interact. energy: -0.243
local terms energy: -98.314826
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -27.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -269.448368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.448368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.448368 (E_RNA)
where:
Base-Base interactions energy: -184.538
where: short stacking energy: -84.371
Base-Backbone interact. energy: -0.148
local terms energy: -84.762212
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -19.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -237.154434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.154434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.154434 (E_RNA)
where:
Base-Base interactions energy: -143.845
where: short stacking energy: -67.591
Base-Backbone interact. energy: -0.184
local terms energy: -93.125300
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -173.342667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.342667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.342667 (E_RNA)
where:
Base-Base interactions energy: -95.103
where: short stacking energy: -50.280
Base-Backbone interact. energy: -0.201
local terms energy: -78.038784
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -12.267
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: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -142.854158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.854158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.854158 (E_RNA)
where:
Base-Base interactions energy: -72.252
where: short stacking energy: -37.012
Base-Backbone interact. energy: -0.181
local terms energy: -70.421148
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -105.562049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.562049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.562049 (E_RNA)
where:
Base-Base interactions energy: -42.308
where: short stacking energy: -39.249
Base-Backbone interact. energy: 0.094
local terms energy: -63.347476
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -352.889015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.889015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.889015 (E_RNA)
where:
Base-Base interactions energy: -254.732
where: short stacking energy: -94.225
Base-Backbone interact. energy: -0.061
local terms energy: -98.096031
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -26.507
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: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -348.193568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.193568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.193568 (E_RNA)
where:
Base-Base interactions energy: -237.846
where: short stacking energy: -96.249
Base-Backbone interact. energy: -3.159
local terms energy: -107.188955
where:
bonds (distance) C4'-P energy: -20.518
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -26.051
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: 1
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -334.749400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.749400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.749400 (E_RNA)
where:
Base-Base interactions energy: -236.392
where: short stacking energy: -87.820
Base-Backbone interact. energy: -1.644
local terms energy: -96.713860
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -25.607
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: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -305.251003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.251003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.251003 (E_RNA)
where:
Base-Base interactions energy: -212.720
where: short stacking energy: -91.785
Base-Backbone interact. energy: -0.099
local terms energy: -92.431972
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -320.936268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.936268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.936268 (E_RNA)
where:
Base-Base interactions energy: -220.520
where: short stacking energy: -79.842
Base-Backbone interact. energy: -0.242
local terms energy: -100.174856
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -19.470
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: 6, replica: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -253.665959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.665959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.665959 (E_RNA)
where:
Base-Base interactions energy: -163.762
where: short stacking energy: -78.277
Base-Backbone interact. energy: -0.552
local terms energy: -89.351893
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -14.040
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: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -282.785245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.785245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.785245 (E_RNA)
where:
Base-Base interactions energy: -186.934
where: short stacking energy: -79.774
Base-Backbone interact. energy: 1.248
local terms energy: -97.098487
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -21.807
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -171.620588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.620588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.620588 (E_RNA)
where:
Base-Base interactions energy: -92.291
where: short stacking energy: -54.224
Base-Backbone interact. energy: 0.717
local terms energy: -80.046826
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -153.614260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.614260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.614260 (E_RNA)
where:
Base-Base interactions energy: -80.579
where: short stacking energy: -41.788
Base-Backbone interact. energy: 0.760
local terms energy: -73.794698
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -111.406846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.406846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.406846 (E_RNA)
where:
Base-Base interactions energy: -41.246
where: short stacking energy: -35.219
Base-Backbone interact. energy: -0.261
local terms energy: -69.899289
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -352.860728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.860728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.860728 (E_RNA)
where:
Base-Base interactions energy: -255.098
where: short stacking energy: -90.289
Base-Backbone interact. energy: -0.318
local terms energy: -97.444436
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -20.708
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: 306
Temperature: 0.950000
Total energy: -360.003629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.003629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.003629 (E_RNA)
where:
Base-Base interactions energy: -256.569
where: short stacking energy: -94.931
Base-Backbone interact. energy: -0.078
local terms energy: -103.356837
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -22.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -332.969710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.969710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.969710 (E_RNA)
where:
Base-Base interactions energy: -239.897
where: short stacking energy: -93.203
Base-Backbone interact. energy: -0.170
local terms energy: -92.902683
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -24.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -328.082013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.082013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.082013 (E_RNA)
where:
Base-Base interactions energy: -241.677
where: short stacking energy: -96.857
Base-Backbone interact. energy: -0.406
local terms energy: -85.999143
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -24.584
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: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -326.383736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.383736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.383736 (E_RNA)
where:
Base-Base interactions energy: -231.513
where: short stacking energy: -89.561
Base-Backbone interact. energy: -0.438
local terms energy: -94.432856
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -13.829
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: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -241.987878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.987878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.987878 (E_RNA)
where:
Base-Base interactions energy: -157.359
where: short stacking energy: -83.315
Base-Backbone interact. energy: -0.400
local terms energy: -84.228558
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -8.305
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: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -260.762192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.762192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.762192 (E_RNA)
where:
Base-Base interactions energy: -175.919
where: short stacking energy: -75.824
Base-Backbone interact. energy: -0.241
local terms energy: -84.603013
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -183.003073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.003073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.003073 (E_RNA)
where:
Base-Base interactions energy: -106.642
where: short stacking energy: -58.264
Base-Backbone interact. energy: -1.268
local terms energy: -75.092652
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -12.293
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: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -116.910999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.910999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.910999 (E_RNA)
where:
Base-Base interactions energy: -47.383
where: short stacking energy: -32.296
Base-Backbone interact. energy: -1.286
local terms energy: -68.242133
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -149.922969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.922969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.922969 (E_RNA)
where:
Base-Base interactions energy: -79.385
where: short stacking energy: -43.762
Base-Backbone interact. energy: -0.039
local terms energy: -70.499194
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -364.971398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.971398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.971398 (E_RNA)
where:
Base-Base interactions energy: -255.020
where: short stacking energy: -104.248
Base-Backbone interact. energy: -0.015
local terms energy: -109.936529
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -27.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -350.342079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.342079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.342079 (E_RNA)
where:
Base-Base interactions energy: -246.714
where: short stacking energy: -84.838
Base-Backbone interact. energy: -0.213
local terms energy: -103.414670
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -24.082
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -23.812
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: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -340.959944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.959944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.959944 (E_RNA)
where:
Base-Base interactions energy: -255.468
where: short stacking energy: -96.818
Base-Backbone interact. energy: 0.293
local terms energy: -85.785337
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -320.844392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.844392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.844392 (E_RNA)
where:
Base-Base interactions energy: -216.279
where: short stacking energy: -88.840
Base-Backbone interact. energy: -0.420
local terms energy: -104.145892
where:
bonds (distance) C4'-P energy: -22.086
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -24.937
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: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -307.771411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.771411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.771411 (E_RNA)
where:
Base-Base interactions energy: -221.477
where: short stacking energy: -82.353
Base-Backbone interact. energy: -0.149
local terms energy: -86.145642
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -13.718
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: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -256.703002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.703002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.703002 (E_RNA)
where:
Base-Base interactions energy: -174.425
where: short stacking energy: -83.236
Base-Backbone interact. energy: -0.845
local terms energy: -81.432769
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -11.405
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: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -242.935660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.935660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.935660 (E_RNA)
where:
Base-Base interactions energy: -153.275
where: short stacking energy: -70.926
Base-Backbone interact. energy: 0.614
local terms energy: -90.273988
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -183.822822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.822822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.822822 (E_RNA)
where:
Base-Base interactions energy: -105.289
where: short stacking energy: -60.059
Base-Backbone interact. energy: -0.082
local terms energy: -78.452139
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -10.284
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: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -103.675128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.675128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.675128 (E_RNA)
where:
Base-Base interactions energy: -45.471
where: short stacking energy: -35.084
Base-Backbone interact. energy: -0.468
local terms energy: -57.735636
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -0.536
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: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -114.536311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.536311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.536311 (E_RNA)
where:
Base-Base interactions energy: -46.613
where: short stacking energy: -32.410
Base-Backbone interact. energy: -0.192
local terms energy: -67.731160
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -8.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -358.411053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.411053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.411053 (E_RNA)
where:
Base-Base interactions energy: -252.560
where: short stacking energy: -105.747
Base-Backbone interact. energy: -0.135
local terms energy: -105.715941
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -28.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -346.471323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.471323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.471323 (E_RNA)
where:
Base-Base interactions energy: -247.624
where: short stacking energy: -93.809
Base-Backbone interact. energy: 0.851
local terms energy: -99.697808
where:
bonds (distance) C4'-P energy: -18.925
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -21.427
flat angles P-C4'-P energy: -19.080
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -345.633643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.633643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.633643 (E_RNA)
where:
Base-Base interactions energy: -244.407
where: short stacking energy: -104.554
Base-Backbone interact. energy: -0.101
local terms energy: -101.125315
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -25.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -322.747142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.747142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.747142 (E_RNA)
where:
Base-Base interactions energy: -229.725
where: short stacking energy: -97.889
Base-Backbone interact. energy: -0.297
local terms energy: -92.725159
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -20.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -307.068651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.068651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.068651 (E_RNA)
where:
Base-Base interactions energy: -225.321
where: short stacking energy: -81.895
Base-Backbone interact. energy: 1.644
local terms energy: -83.391332
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -263.924868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.924868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.924868 (E_RNA)
where:
Base-Base interactions energy: -181.665
where: short stacking energy: -75.085
Base-Backbone interact. energy: -0.236
local terms energy: -82.023185
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -248.651587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.651587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.651587 (E_RNA)
where:
Base-Base interactions energy: -172.632
where: short stacking energy: -77.409
Base-Backbone interact. energy: -0.100
local terms energy: -75.919625
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -182.873641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.873641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.873641 (E_RNA)
where:
Base-Base interactions energy: -102.034
where: short stacking energy: -47.622
Base-Backbone interact. energy: -0.210
local terms energy: -80.630001
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -9.381
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: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -112.554133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.554133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.554133 (E_RNA)
where:
Base-Base interactions energy: -43.666
where: short stacking energy: -41.371
Base-Backbone interact. energy: -0.148
local terms energy: -68.740254
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -95.043017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.043017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.043017 (E_RNA)
where:
Base-Base interactions energy: -46.322
where: short stacking energy: -43.332
Base-Backbone interact. energy: -1.455
local terms energy: -47.266350
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -5.686
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: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -355.646004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.646004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.646004 (E_RNA)
where:
Base-Base interactions energy: -248.976
where: short stacking energy: -102.184
Base-Backbone interact. energy: -0.007
local terms energy: -106.663319
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -23.059
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -28.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -338.407241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.407241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.407241 (E_RNA)
where:
Base-Base interactions energy: -233.584
where: short stacking energy: -93.090
Base-Backbone interact. energy: -0.145
local terms energy: -104.678103
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -24.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -342.098961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.098961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.098961 (E_RNA)
where:
Base-Base interactions energy: -241.308
where: short stacking energy: -90.918
Base-Backbone interact. energy: -0.104
local terms energy: -100.686442
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -25.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -327.291412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.291412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.291412 (E_RNA)
where:
Base-Base interactions energy: -235.274
where: short stacking energy: -95.141
Base-Backbone interact. energy: -0.178
local terms energy: -91.839771
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -285.721193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.721193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.721193 (E_RNA)
where:
Base-Base interactions energy: -196.712
where: short stacking energy: -81.730
Base-Backbone interact. energy: -0.174
local terms energy: -88.835769
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -245.806869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.806869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.806869 (E_RNA)
where:
Base-Base interactions energy: -166.964
where: short stacking energy: -57.170
Base-Backbone interact. energy: -0.392
local terms energy: -78.450821
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -13.822
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: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -246.546854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.546854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.546854 (E_RNA)
where:
Base-Base interactions energy: -169.862
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.179
local terms energy: -76.505778
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -13.298
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: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -165.890765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.890765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.890765 (E_RNA)
where:
Base-Base interactions energy: -96.910
where: short stacking energy: -58.353
Base-Backbone interact. energy: -0.202
local terms energy: -68.778085
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -13.439
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: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -128.245810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.245810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.245810 (E_RNA)
where:
Base-Base interactions energy: -56.734
where: short stacking energy: -55.603
Base-Backbone interact. energy: -0.033
local terms energy: -71.479154
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -99.925436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.925436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.925436 (E_RNA)
where:
Base-Base interactions energy: -42.263
where: short stacking energy: -30.366
Base-Backbone interact. energy: -0.312
local terms energy: -57.349708
where:
bonds (distance) C4'-P energy: -19.128
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -349.139276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.139276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.139276 (E_RNA)
where:
Base-Base interactions energy: -241.800
where: short stacking energy: -106.189
Base-Backbone interact. energy: -2.608
local terms energy: -104.731622
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -28.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -344.541076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.541076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.541076 (E_RNA)
where:
Base-Base interactions energy: -243.698
where: short stacking energy: -87.109
Base-Backbone interact. energy: -0.128
local terms energy: -100.715567
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -20.332
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -24.425
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: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -335.733004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.733004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.733004 (E_RNA)
where:
Base-Base interactions energy: -234.501
where: short stacking energy: -96.277
Base-Backbone interact. energy: -0.042
local terms energy: -101.190387
where:
bonds (distance) C4'-P energy: -20.440
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -25.660
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: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -340.530766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.530766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.530766 (E_RNA)
where:
Base-Base interactions energy: -243.947
where: short stacking energy: -89.418
Base-Backbone interact. energy: -0.697
local terms energy: -95.886294
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -301.169833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.169833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.169833 (E_RNA)
where:
Base-Base interactions energy: -206.197
where: short stacking energy: -78.576
Base-Backbone interact. energy: -1.133
local terms energy: -93.839743
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -25.300
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -20.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -245.015972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.015972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.015972 (E_RNA)
where:
Base-Base interactions energy: -158.587
where: short stacking energy: -66.102
Base-Backbone interact. energy: -0.093
local terms energy: -86.335809
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -260.212882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.212882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.212882 (E_RNA)
where:
Base-Base interactions energy: -184.177
where: short stacking energy: -73.117
Base-Backbone interact. energy: 3.305
local terms energy: -79.341126
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -177.148546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.148546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.148546 (E_RNA)
where:
Base-Base interactions energy: -104.464
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.026
local terms energy: -72.657970
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -117.018402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.018402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.018402 (E_RNA)
where:
Base-Base interactions energy: -62.984
where: short stacking energy: -43.508
Base-Backbone interact. energy: -0.316
local terms energy: -53.717973
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -8.409
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -103.318355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.318355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.318355 (E_RNA)
where:
Base-Base interactions energy: -36.129
where: short stacking energy: -35.738
Base-Backbone interact. energy: 0.422
local terms energy: -67.611297
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -359.286660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.286660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.286660 (E_RNA)
where:
Base-Base interactions energy: -252.826
where: short stacking energy: -107.036
Base-Backbone interact. energy: -1.596
local terms energy: -104.864394
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -26.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -347.729367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.729367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.729367 (E_RNA)
where:
Base-Base interactions energy: -240.775
where: short stacking energy: -103.650
Base-Backbone interact. energy: -0.611
local terms energy: -106.343150
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -28.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -328.265863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.265863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.265863 (E_RNA)
where:
Base-Base interactions energy: -232.894
where: short stacking energy: -99.328
Base-Backbone interact. energy: -0.100
local terms energy: -95.271812
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -15.925
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: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -330.647544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.647544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.647544 (E_RNA)
where:
Base-Base interactions energy: -241.059
where: short stacking energy: -88.594
Base-Backbone interact. energy: 1.254
local terms energy: -90.842812
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -306.051971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.051971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.051971 (E_RNA)
where:
Base-Base interactions energy: -227.198
where: short stacking energy: -85.965
Base-Backbone interact. energy: -0.702
local terms energy: -78.152170
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -272.237349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.237349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.237349 (E_RNA)
where:
Base-Base interactions energy: -191.720
where: short stacking energy: -92.395
Base-Backbone interact. energy: -0.012
local terms energy: -80.505795
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -22.640
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: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -217.547464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.547464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.547464 (E_RNA)
where:
Base-Base interactions energy: -132.342
where: short stacking energy: -58.449
Base-Backbone interact. energy: -1.177
local terms energy: -84.028362
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -115.218804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.218804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.218804 (E_RNA)
where:
Base-Base interactions energy: -46.348
where: short stacking energy: -46.348
Base-Backbone interact. energy: -0.153
local terms energy: -68.718160
where:
bonds (distance) C4'-P energy: -4.315
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -10.093
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: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -170.374053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.374053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.374053 (E_RNA)
where:
Base-Base interactions energy: -106.278
where: short stacking energy: -57.764
Base-Backbone interact. energy: -0.355
local terms energy: -63.740297
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -9.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -109.730550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.730550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.730550 (E_RNA)
where:
Base-Base interactions energy: -49.177
where: short stacking energy: -45.051
Base-Backbone interact. energy: -0.242
local terms energy: -60.311872
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -358.194020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.194020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.194020 (E_RNA)
where:
Base-Base interactions energy: -253.172
where: short stacking energy: -108.431
Base-Backbone interact. energy: -0.078
local terms energy: -104.943149
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -26.391
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: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -352.247183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.247183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.247183 (E_RNA)
where:
Base-Base interactions energy: -248.602
where: short stacking energy: -96.217
Base-Backbone interact. energy: -0.001
local terms energy: -103.643886
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -26.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -330.161504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.161504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.161504 (E_RNA)
where:
Base-Base interactions energy: -236.884
where: short stacking energy: -91.516
Base-Backbone interact. energy: -0.349
local terms energy: -92.928289
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -320.313063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.313063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.313063 (E_RNA)
where:
Base-Base interactions energy: -225.864
where: short stacking energy: -95.970
Base-Backbone interact. energy: 0.703
local terms energy: -95.152089
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -23.582
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -23.855
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: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -333.976482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.976482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.976482 (E_RNA)
where:
Base-Base interactions energy: -233.893
where: short stacking energy: -88.334
Base-Backbone interact. energy: -0.149
local terms energy: -99.935179
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -21.803
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: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -264.616518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.616518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.616518 (E_RNA)
where:
Base-Base interactions energy: -181.818
where: short stacking energy: -81.817
Base-Backbone interact. energy: -0.751
local terms energy: -82.046866
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -11.378
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: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -236.654244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.654244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.654244 (E_RNA)
where:
Base-Base interactions energy: -145.218
where: short stacking energy: -69.302
Base-Backbone interact. energy: -0.309
local terms energy: -91.127944
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -18.350
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: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -120.448389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.448389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.448389 (E_RNA)
where:
Base-Base interactions energy: -45.857
where: short stacking energy: -43.781
Base-Backbone interact. energy: -0.541
local terms energy: -74.051001
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -153.403149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.403149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.403149 (E_RNA)
where:
Base-Base interactions energy: -83.128
where: short stacking energy: -40.556
Base-Backbone interact. energy: -0.234
local terms energy: -70.040261
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -9.344
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: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -98.833685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.833685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.833685 (E_RNA)
where:
Base-Base interactions energy: -27.911
where: short stacking energy: -27.911
Base-Backbone interact. energy: 1.290
local terms energy: -72.212885
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -355.796393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.796393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.796393 (E_RNA)
where:
Base-Base interactions energy: -245.429
where: short stacking energy: -107.161
Base-Backbone interact. energy: -0.893
local terms energy: -109.474255
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -31.712
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: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -346.275971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.275971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.275971 (E_RNA)
where:
Base-Base interactions energy: -255.913
where: short stacking energy: -97.116
Base-Backbone interact. energy: -0.105
local terms energy: -90.258159
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -353.813726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.813726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.813726 (E_RNA)
where:
Base-Base interactions energy: -248.264
where: short stacking energy: -110.082
Base-Backbone interact. energy: 0.105
local terms energy: -105.654590
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -21.806
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -29.443
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: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -348.562241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.562241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.562241 (E_RNA)
where:
Base-Base interactions energy: -247.877
where: short stacking energy: -92.112
Base-Backbone interact. energy: -0.327
local terms energy: -100.358689
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -24.336
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: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -316.707578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.707578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.707578 (E_RNA)
where:
Base-Base interactions energy: -229.975
where: short stacking energy: -92.646
Base-Backbone interact. energy: -0.102
local terms energy: -86.630412
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -23.640
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: 313
Temperature: 1.150000
Total energy: -267.896852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.896852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.896852 (E_RNA)
where:
Base-Base interactions energy: -189.084
where: short stacking energy: -73.705
Base-Backbone interact. energy: -1.477
local terms energy: -77.336270
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -241.290502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.290502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.290502 (E_RNA)
where:
Base-Base interactions energy: -150.460
where: short stacking energy: -86.806
Base-Backbone interact. energy: -0.689
local terms energy: -90.140949
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -23.600
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: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -176.714225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.714225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.714225 (E_RNA)
where:
Base-Base interactions energy: -87.262
where: short stacking energy: -44.336
Base-Backbone interact. energy: -0.093
local terms energy: -89.359244
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -22.594
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -116.112238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.112238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.112238 (E_RNA)
where:
Base-Base interactions energy: -60.029
where: short stacking energy: -42.904
Base-Backbone interact. energy: -0.217
local terms energy: -55.866118
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -105.076191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.076191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.076191 (E_RNA)
where:
Base-Base interactions energy: -40.615
where: short stacking energy: -35.009
Base-Backbone interact. energy: -0.161
local terms energy: -64.300014
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -355.985637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.985637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.985637 (E_RNA)
where:
Base-Base interactions energy: -252.495
where: short stacking energy: -100.692
Base-Backbone interact. energy: -0.232
local terms energy: -103.258107
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -26.342
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: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -356.098454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.098454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.098454 (E_RNA)
where:
Base-Base interactions energy: -253.253
where: short stacking energy: -101.143
Base-Backbone interact. energy: -0.008
local terms energy: -102.837016
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -20.879
flat angles C4'-P-C4' energy: -22.733
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -27.017
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: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -344.598204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.598204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.598204 (E_RNA)
where:
Base-Base interactions energy: -240.678
where: short stacking energy: -90.479
Base-Backbone interact. energy: -0.106
local terms energy: -103.815120
where:
bonds (distance) C4'-P energy: -20.701
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -340.339898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.339898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.339898 (E_RNA)
where:
Base-Base interactions energy: -235.837
where: short stacking energy: -95.161
Base-Backbone interact. energy: -0.066
local terms energy: -104.436767
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -27.412
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: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -312.429092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.429092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.429092 (E_RNA)
where:
Base-Base interactions energy: -222.046
where: short stacking energy: -94.452
Base-Backbone interact. energy: -0.110
local terms energy: -90.273024
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -263.546030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.546030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.546030 (E_RNA)
where:
Base-Base interactions energy: -176.006
where: short stacking energy: -73.086
Base-Backbone interact. energy: -0.797
local terms energy: -86.742911
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -21.868
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: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -231.188055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.188055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.188055 (E_RNA)
where:
Base-Base interactions energy: -151.171
where: short stacking energy: -77.911
Base-Backbone interact. energy: -0.314
local terms energy: -79.702126
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -175.847316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.847316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.847316 (E_RNA)
where:
Base-Base interactions energy: -103.092
where: short stacking energy: -54.649
Base-Backbone interact. energy: -1.799
local terms energy: -70.956767
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -8.042
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: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -107.694372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.694372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.694372 (E_RNA)
where:
Base-Base interactions energy: -45.098
where: short stacking energy: -39.806
Base-Backbone interact. energy: 0.390
local terms energy: -62.986432
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -4.942
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: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -100.787508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.787508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.787508 (E_RNA)
where:
Base-Base interactions energy: -29.494
where: short stacking energy: -29.494
Base-Backbone interact. energy: -0.103
local terms energy: -71.190440
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -9.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -354.412993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.412993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.412993 (E_RNA)
where:
Base-Base interactions energy: -252.690
where: short stacking energy: -96.567
Base-Backbone interact. energy: -0.101
local terms energy: -101.622188
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -22.896
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -21.808
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: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -349.755588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.755588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.755588 (E_RNA)
where:
Base-Base interactions energy: -244.776
where: short stacking energy: -104.010
Base-Backbone interact. energy: -0.021
local terms energy: -104.958291
where:
bonds (distance) C4'-P energy: -19.997
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -24.127
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -28.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -343.873596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.873596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.873596 (E_RNA)
where:
Base-Base interactions energy: -255.396
where: short stacking energy: -96.385
Base-Backbone interact. energy: -0.058
local terms energy: -88.419636
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -27.768
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: 315
Temperature: 1.050000
Total energy: -323.559259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.559259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.559259 (E_RNA)
where:
Base-Base interactions energy: -231.506
where: short stacking energy: -90.001
Base-Backbone interact. energy: -0.121
local terms energy: -91.931411
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -23.174
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: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -338.975400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.975400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.975400 (E_RNA)
where:
Base-Base interactions energy: -238.667
where: short stacking energy: -94.378
Base-Backbone interact. energy: -0.645
local terms energy: -99.663428
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -26.271
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: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -232.630839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.630839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.630839 (E_RNA)
where:
Base-Base interactions energy: -146.107
where: short stacking energy: -75.497
Base-Backbone interact. energy: -0.586
local terms energy: -85.937255
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -18.896
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: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -272.650217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.650217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.650217 (E_RNA)
where:
Base-Base interactions energy: -182.532
where: short stacking energy: -81.399
Base-Backbone interact. energy: -0.041
local terms energy: -90.077271
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -204.680583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.680583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.680583 (E_RNA)
where:
Base-Base interactions energy: -130.556
where: short stacking energy: -55.902
Base-Backbone interact. energy: -0.648
local terms energy: -73.476726
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -106.341593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.341593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.341593 (E_RNA)
where:
Base-Base interactions energy: -40.019
where: short stacking energy: -35.104
Base-Backbone interact. energy: -0.183
local terms energy: -66.139451
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -108.346478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.346478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.346478 (E_RNA)
where:
Base-Base interactions energy: -49.690
where: short stacking energy: -49.690
Base-Backbone interact. energy: -0.506
local terms energy: -58.150239
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -10.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -357.128537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.128537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.128537 (E_RNA)
where:
Base-Base interactions energy: -247.748
where: short stacking energy: -101.826
Base-Backbone interact. energy: -0.001
local terms energy: -109.379353
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -28.804
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: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -347.114542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.114542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.114542 (E_RNA)
where:
Base-Base interactions energy: -252.989
where: short stacking energy: -94.581
Base-Backbone interact. energy: 1.363
local terms energy: -95.488435
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -24.093
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: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -356.103219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.103219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.103219 (E_RNA)
where:
Base-Base interactions energy: -247.029
where: short stacking energy: -88.297
Base-Backbone interact. energy: -0.116
local terms energy: -108.958433
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -25.417
flat angles P-C4'-P energy: -17.103
tors. eta vs tors. theta energy: -22.332
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: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -315.467558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.467558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.467558 (E_RNA)
where:
Base-Base interactions energy: -215.737
where: short stacking energy: -94.149
Base-Backbone interact. energy: 1.347
local terms energy: -101.077290
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -22.113
flat angles P-C4'-P energy: -15.980
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: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -335.188985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.188985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.188985 (E_RNA)
where:
Base-Base interactions energy: -235.984
where: short stacking energy: -102.356
Base-Backbone interact. energy: -0.573
local terms energy: -98.632333
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -29.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -224.038560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.038560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.038560 (E_RNA)
where:
Base-Base interactions energy: -139.783
where: short stacking energy: -64.805
Base-Backbone interact. energy: -0.023
local terms energy: -84.232867
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -18.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -258.162114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.162114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.162114 (E_RNA)
where:
Base-Base interactions energy: -180.645
where: short stacking energy: -76.598
Base-Backbone interact. energy: -0.088
local terms energy: -77.429306
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -14.527
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: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -212.479522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.479522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.479522 (E_RNA)
where:
Base-Base interactions energy: -122.592
where: short stacking energy: -56.140
Base-Backbone interact. energy: -0.530
local terms energy: -89.357795
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -102.331359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.331359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.331359 (E_RNA)
where:
Base-Base interactions energy: -51.546
where: short stacking energy: -39.197
Base-Backbone interact. energy: -0.242
local terms energy: -50.542614
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -102.473842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.473842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.473842 (E_RNA)
where:
Base-Base interactions energy: -37.006
where: short stacking energy: -33.222
Base-Backbone interact. energy: -0.899
local terms energy: -64.569257
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -5.725
tors. eta vs tors. theta energy: 0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -350.384248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.384248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.384248 (E_RNA)
where:
Base-Base interactions energy: -244.949
where: short stacking energy: -104.605
Base-Backbone interact. energy: -0.087
local terms energy: -105.347536
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -26.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -351.944565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.944565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.944565 (E_RNA)
where:
Base-Base interactions energy: -247.933
where: short stacking energy: -87.593
Base-Backbone interact. energy: -0.168
local terms energy: -103.843601
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -22.663
flat angles P-C4'-P energy: -18.535
tors. eta vs tors. theta energy: -25.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -342.726353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.726353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.726353 (E_RNA)
where:
Base-Base interactions energy: -246.268
where: short stacking energy: -90.859
Base-Backbone interact. energy: -0.048
local terms energy: -96.410420
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -22.669
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: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -344.305933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.305933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.305933 (E_RNA)
where:
Base-Base interactions energy: -239.177
where: short stacking energy: -104.548
Base-Backbone interact. energy: -1.342
local terms energy: -103.787366
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -29.149
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: 317
Temperature: 1.100000
Total energy: -309.644142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.644142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.644142 (E_RNA)
where:
Base-Base interactions energy: -216.310
where: short stacking energy: -85.164
Base-Backbone interact. energy: -0.420
local terms energy: -92.914177
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -23.440
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: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -261.704154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.704154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.704154 (E_RNA)
where:
Base-Base interactions energy: -181.072
where: short stacking energy: -78.410
Base-Backbone interact. energy: -0.200
local terms energy: -80.431458
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -11.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -238.318825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.318825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.318825 (E_RNA)
where:
Base-Base interactions energy: -140.211
where: short stacking energy: -73.913
Base-Backbone interact. energy: 2.119
local terms energy: -100.227018
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -20.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -230.073686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.073686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.073686 (E_RNA)
where:
Base-Base interactions energy: -151.237
where: short stacking energy: -77.274
Base-Backbone interact. energy: -0.156
local terms energy: -78.680683
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -15.994
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: 317
Temperature: 1.300000
Total energy: -116.766499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.766499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.766499 (E_RNA)
where:
Base-Base interactions energy: -48.142
where: short stacking energy: -37.959
Base-Backbone interact. energy: -0.149
local terms energy: -68.475903
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -179.769868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.769868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.769868 (E_RNA)
where:
Base-Base interactions energy: -110.136
where: short stacking energy: -50.082
Base-Backbone interact. energy: 0.133
local terms energy: -69.766979
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -4.122
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -354.189389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.189389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.189389 (E_RNA)
where:
Base-Base interactions energy: -242.739
where: short stacking energy: -105.931
Base-Backbone interact. energy: -0.760
local terms energy: -110.690319
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -22.174
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -30.402
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: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -348.836564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.836564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.836564 (E_RNA)
where:
Base-Base interactions energy: -251.773
where: short stacking energy: -95.852
Base-Backbone interact. energy: -0.098
local terms energy: -96.965701
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -21.286
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: 318
Temperature: 1.000000
Total energy: -348.022396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.022396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.022396 (E_RNA)
where:
Base-Base interactions energy: -231.623
where: short stacking energy: -104.023
Base-Backbone interact. energy: -0.319
local terms energy: -116.080477
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -22.556
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -32.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -349.070534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.070534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.070534 (E_RNA)
where:
Base-Base interactions energy: -253.017
where: short stacking energy: -89.480
Base-Backbone interact. energy: -0.973
local terms energy: -95.080518
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -23.560
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: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -325.028173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.028173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.028173 (E_RNA)
where:
Base-Base interactions energy: -236.484
where: short stacking energy: -94.266
Base-Backbone interact. energy: -0.237
local terms energy: -88.306902
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -21.476
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: 318
Temperature: 1.150000
Total energy: -265.173793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.173793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.173793 (E_RNA)
where:
Base-Base interactions energy: -179.128
where: short stacking energy: -78.795
Base-Backbone interact. energy: -0.212
local terms energy: -85.834046
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -14.302
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: 7, replica: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -251.342799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.342799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.342799 (E_RNA)
where:
Base-Base interactions energy: -162.320
where: short stacking energy: -83.223
Base-Backbone interact. energy: -0.712
local terms energy: -88.310338
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -172.473388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.473388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.473388 (E_RNA)
where:
Base-Base interactions energy: -109.586
where: short stacking energy: -47.348
Base-Backbone interact. energy: -0.299
local terms energy: -62.588638
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -11.417
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: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -177.229741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.229741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.229741 (E_RNA)
where:
Base-Base interactions energy: -107.098
where: short stacking energy: -50.907
Base-Backbone interact. energy: 0.777
local terms energy: -70.909506
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -7.151
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: 318
Temperature: 1.350000
Total energy: -109.235965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.235965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.235965 (E_RNA)
where:
Base-Base interactions energy: -43.290
where: short stacking energy: -27.191
Base-Backbone interact. energy: -0.217
local terms energy: -65.728879
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: 0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -358.495246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.495246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.495246 (E_RNA)
where:
Base-Base interactions energy: -244.056
where: short stacking energy: -100.260
Base-Backbone interact. energy: -0.011
local terms energy: -114.427678
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -28.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -344.379004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.379004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.379004 (E_RNA)
where:
Base-Base interactions energy: -246.844
where: short stacking energy: -92.994
Base-Backbone interact. energy: -0.056
local terms energy: -97.478672
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -25.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -349.856077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.856077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.856077 (E_RNA)
where:
Base-Base interactions energy: -252.714
where: short stacking energy: -107.915
Base-Backbone interact. energy: -0.009
local terms energy: -97.132550
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -27.712
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: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -314.470419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.470419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.470419 (E_RNA)
where:
Base-Base interactions energy: -219.211
where: short stacking energy: -89.250
Base-Backbone interact. energy: -0.189
local terms energy: -95.070491
where:
bonds (distance) C4'-P energy: -21.868
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -19.119
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -333.673699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.673699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.673699 (E_RNA)
where:
Base-Base interactions energy: -238.910
where: short stacking energy: -93.845
Base-Backbone interact. energy: -0.225
local terms energy: -94.538945
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -23.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -283.270453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.270453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.270453 (E_RNA)
where:
Base-Base interactions energy: -187.229
where: short stacking energy: -87.423
Base-Backbone interact. energy: -0.229
local terms energy: -95.811627
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -11.688
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: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -233.286506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.286506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.286506 (E_RNA)
where:
Base-Base interactions energy: -137.301
where: short stacking energy: -67.198
Base-Backbone interact. energy: -0.614
local terms energy: -95.370827
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -16.331
tors. eta vs tors. theta energy: -21.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -210.284658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.284658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.284658 (E_RNA)
where:
Base-Base interactions energy: -128.116
where: short stacking energy: -65.198
Base-Backbone interact. energy: -1.328
local terms energy: -80.840903
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -13.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -129.588087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.588087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.588087 (E_RNA)
where:
Base-Base interactions energy: -72.536
where: short stacking energy: -35.211
Base-Backbone interact. energy: -2.077
local terms energy: -54.975334
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -109.813148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.813148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.813148 (E_RNA)
where:
Base-Base interactions energy: -41.307
where: short stacking energy: -32.544
Base-Backbone interact. energy: -0.188
local terms energy: -68.317691
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -7.939
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: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -349.322643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.322643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.322643 (E_RNA)
where:
Base-Base interactions energy: -250.523
where: short stacking energy: -94.208
Base-Backbone interact. energy: -0.026
local terms energy: -98.773056
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -349.627731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.627731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.627731 (E_RNA)
where:
Base-Base interactions energy: -246.420
where: short stacking energy: -99.204
Base-Backbone interact. energy: -0.296
local terms energy: -102.911522
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -24.522
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: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -342.220604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.220604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.220604 (E_RNA)
where:
Base-Base interactions energy: -242.570
where: short stacking energy: -92.845
Base-Backbone interact. energy: -0.055
local terms energy: -99.595022
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -28.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -317.601905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.601905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.601905 (E_RNA)
where:
Base-Base interactions energy: -232.970
where: short stacking energy: -89.488
Base-Backbone interact. energy: -0.626
local terms energy: -84.006788
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -346.350133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.350133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.350133 (E_RNA)
where:
Base-Base interactions energy: -251.227
where: short stacking energy: -94.838
Base-Backbone interact. energy: -0.149
local terms energy: -94.974764
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -282.080651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.080651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.080651 (E_RNA)
where:
Base-Base interactions energy: -190.564
where: short stacking energy: -92.369
Base-Backbone interact. energy: -0.615
local terms energy: -90.901728
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -25.376
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: 7
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -207.544142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.544142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.544142 (E_RNA)
where:
Base-Base interactions energy: -135.140
where: short stacking energy: -57.652
Base-Backbone interact. energy: -0.706
local terms energy: -71.697533
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -7.508
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: 8, replica: 3
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -237.484792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.484792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.484792 (E_RNA)
where:
Base-Base interactions energy: -155.415
where: short stacking energy: -66.794
Base-Backbone interact. energy: -0.605
local terms energy: -81.464637
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -15.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -119.057929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.057929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.057929 (E_RNA)
where:
Base-Base interactions energy: -62.488
where: short stacking energy: -42.114
Base-Backbone interact. energy: -0.262
local terms energy: -56.307351
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -2.937
tors. eta vs tors. theta energy: -5.671
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: 320
Temperature: 1.350000
Total energy: -115.788770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.788770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.788770 (E_RNA)
where:
Base-Base interactions energy: -55.850
where: short stacking energy: -31.751
Base-Backbone interact. energy: -1.736
local terms energy: -58.203138
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: 1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -353.111135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.111135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.111135 (E_RNA)
where:
Base-Base interactions energy: -245.533
where: short stacking energy: -98.529
Base-Backbone interact. energy: -0.725
local terms energy: -106.852937
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -23.014
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -26.082
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: 10
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -346.788854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.788854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.788854 (E_RNA)
where:
Base-Base interactions energy: -248.718
where: short stacking energy: -94.988
Base-Backbone interact. energy: -0.087
local terms energy: -97.984201
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -22.733
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -343.781352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.781352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.781352 (E_RNA)
where:
Base-Base interactions energy: -251.749
where: short stacking energy: -105.444
Base-Backbone interact. energy: 0.014
local terms energy: -92.046594
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -20.554
flat angles P-C4'-P energy: -14.177
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: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -309.086383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.086383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.086383 (E_RNA)
where:
Base-Base interactions energy: -216.233
where: short stacking energy: -85.738
Base-Backbone interact. energy: -0.129
local terms energy: -92.724305
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -20.912
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -21.261
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: 321
Temperature: 1.100000
Total energy: -338.529824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.529824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.529824 (E_RNA)
where:
Base-Base interactions energy: -245.087
where: short stacking energy: -94.404
Base-Backbone interact. energy: -0.124
local terms energy: -93.318598
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -24.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -225.718400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.718400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.718400 (E_RNA)
where:
Base-Base interactions energy: -129.774
where: short stacking energy: -74.262
Base-Backbone interact. energy: 0.214
local terms energy: -96.157963
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -21.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -260.103098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.103098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.103098 (E_RNA)
where:
Base-Base interactions energy: -159.411
where: short stacking energy: -70.134
Base-Backbone interact. energy: 1.592
local terms energy: -102.284204
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -22.343
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -25.323
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: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -226.122538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.122538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.122538 (E_RNA)
where:
Base-Base interactions energy: -137.375
where: short stacking energy: -73.704
Base-Backbone interact. energy: -0.186
local terms energy: -88.562301
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -16.640
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: 9, replica: 8
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -111.670855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.670855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.670855 (E_RNA)
where:
Base-Base interactions energy: -48.689
where: short stacking energy: -48.689
Base-Backbone interact. energy: -0.891
local terms energy: -62.091412
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -148.700551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.700551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.700551 (E_RNA)
where:
Base-Base interactions energy: -80.492
where: short stacking energy: -45.144
Base-Backbone interact. energy: 1.157
local terms energy: -69.365084
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -351.350557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.350557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.350557 (E_RNA)
where:
Base-Base interactions energy: -245.970
where: short stacking energy: -96.033
Base-Backbone interact. energy: -0.191
local terms energy: -105.188848
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: -24.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -350.595641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.595641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.595641 (E_RNA)
where:
Base-Base interactions energy: -244.257
where: short stacking energy: -99.418
Base-Backbone interact. energy: -0.310
local terms energy: -106.028637
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -23.790
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: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -348.699750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.699750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.699750 (E_RNA)
where:
Base-Base interactions energy: -249.068
where: short stacking energy: -104.751
Base-Backbone interact. energy: 0.340
local terms energy: -99.972213
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -27.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -307.740219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.740219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.740219 (E_RNA)
where:
Base-Base interactions energy: -214.372
where: short stacking energy: -89.185
Base-Backbone interact. energy: -0.412
local terms energy: -92.955905
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -14.634
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: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -340.019698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.019698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.019698 (E_RNA)
where:
Base-Base interactions energy: -240.221
where: short stacking energy: -90.672
Base-Backbone interact. energy: -0.054
local terms energy: -99.744745
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -19.693
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -25.120
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: 322
Temperature: 1.150000
Total energy: -232.079418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.079418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.079418 (E_RNA)
where:
Base-Base interactions energy: -142.897
where: short stacking energy: -67.227
Base-Backbone interact. energy: -0.408
local terms energy: -88.774064
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -274.022308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.022308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.022308 (E_RNA)
where:
Base-Base interactions energy: -185.274
where: short stacking energy: -70.360
Base-Backbone interact. energy: -0.545
local terms energy: -88.203100
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -13.729
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: 8, replica: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -221.820923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.820923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.820923 (E_RNA)
where:
Base-Base interactions energy: -136.357
where: short stacking energy: -60.607
Base-Backbone interact. energy: 0.188
local terms energy: -85.651602
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -16.628
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: 322
Temperature: 1.300000
Total energy: -174.273785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.273785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.273785 (E_RNA)
where:
Base-Base interactions energy: -97.877
where: short stacking energy: -61.623
Base-Backbone interact. energy: -0.177
local terms energy: -76.220181
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -13.523
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: 10, replica: 8
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -112.242609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.242609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.242609 (E_RNA)
where:
Base-Base interactions energy: -46.142
where: short stacking energy: -44.346
Base-Backbone interact. energy: -0.143
local terms energy: -65.957727
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -354.821738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.821738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.821738 (E_RNA)
where:
Base-Base interactions energy: -248.038
where: short stacking energy: -93.477
Base-Backbone interact. energy: -0.182
local terms energy: -106.601708
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -23.653
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -19.075
tors. eta vs tors. theta energy: -23.978
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: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -350.977267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.977267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.977267 (E_RNA)
where:
Base-Base interactions energy: -250.118
where: short stacking energy: -96.873
Base-Backbone interact. energy: -0.109
local terms energy: -100.750242
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -21.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -343.389649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.389649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.389649 (E_RNA)
where:
Base-Base interactions energy: -248.561
where: short stacking energy: -99.462
Base-Backbone interact. energy: -0.030
local terms energy: -94.798702
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -334.400149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.400149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.400149 (E_RNA)
where:
Base-Base interactions energy: -243.430
where: short stacking energy: -89.287
Base-Backbone interact. energy: 1.492
local terms energy: -92.462220
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -298.898222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.898222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.898222 (E_RNA)
where:
Base-Base interactions energy: -208.852
where: short stacking energy: -87.570
Base-Backbone interact. energy: -0.004
local terms energy: -90.042147
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -26.367
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: 323
Temperature: 1.150000
Total energy: -268.671176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.671176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.671176 (E_RNA)
where:
Base-Base interactions energy: -178.848
where: short stacking energy: -68.641
Base-Backbone interact. energy: -0.786
local terms energy: -89.036397
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -19.047
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: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -224.741093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.741093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.741093 (E_RNA)
where:
Base-Base interactions energy: -143.235
where: short stacking energy: -71.216
Base-Backbone interact. energy: -0.208
local terms energy: -81.298369
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -227.742177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.742177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.742177 (E_RNA)
where:
Base-Base interactions energy: -157.061
where: short stacking energy: -74.924
Base-Backbone interact. energy: -0.380
local terms energy: -70.300867
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -12.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -159.966848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.966848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.966848 (E_RNA)
where:
Base-Base interactions energy: -89.089
where: short stacking energy: -49.176
Base-Backbone interact. energy: -0.310
local terms energy: -70.567586
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -11.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -119.245192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.245192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.245192 (E_RNA)
where:
Base-Base interactions energy: -55.338
where: short stacking energy: -39.713
Base-Backbone interact. energy: -0.830
local terms energy: -63.076971
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -8.303
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: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -354.320574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.320574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.320574 (E_RNA)
where:
Base-Base interactions energy: -249.726
where: short stacking energy: -95.112
Base-Backbone interact. energy: -0.184
local terms energy: -104.410935
where:
bonds (distance) C4'-P energy: -21.929
bonds (distance) P-C4' energy: -21.893
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -356.213306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.213306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.213306 (E_RNA)
where:
Base-Base interactions energy: -245.060
where: short stacking energy: -91.310
Base-Backbone interact. energy: -0.279
local terms energy: -110.874233
where:
bonds (distance) C4'-P energy: -22.857
bonds (distance) P-C4' energy: -22.963
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -23.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -341.869046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.869046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.869046 (E_RNA)
where:
Base-Base interactions energy: -244.533
where: short stacking energy: -99.837
Base-Backbone interact. energy: -0.187
local terms energy: -97.148829
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -28.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -344.718179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.718179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.718179 (E_RNA)
where:
Base-Base interactions energy: -243.507
where: short stacking energy: -92.600
Base-Backbone interact. energy: -1.128
local terms energy: -100.083643
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -24.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -282.182483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.182483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.182483 (E_RNA)
where:
Base-Base interactions energy: -205.655
where: short stacking energy: -80.823
Base-Backbone interact. energy: -0.458
local terms energy: -76.068563
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -295.335500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.335500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.335500 (E_RNA)
where:
Base-Base interactions energy: -201.598
where: short stacking energy: -85.601
Base-Backbone interact. energy: -0.198
local terms energy: -93.539296
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -223.863899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.863899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.863899 (E_RNA)
where:
Base-Base interactions energy: -138.483
where: short stacking energy: -69.702
Base-Backbone interact. energy: -0.132
local terms energy: -85.248791
where:
bonds (distance) C4'-P energy: -18.251
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -211.322471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.322471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.322471 (E_RNA)
where:
Base-Base interactions energy: -137.808
where: short stacking energy: -60.624
Base-Backbone interact. energy: -0.148
local terms energy: -73.366213
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -11.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -172.614798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.614798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.614798 (E_RNA)
where:
Base-Base interactions energy: -97.522
where: short stacking energy: -60.609
Base-Backbone interact. energy: -0.833
local terms energy: -74.259250
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -10.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -113.032673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.032673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.032673 (E_RNA)
where:
Base-Base interactions energy: -62.153
where: short stacking energy: -27.084
Base-Backbone interact. energy: -0.561
local terms energy: -50.319162
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: 3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -347.203538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.203538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.203538 (E_RNA)
where:
Base-Base interactions energy: -246.169
where: short stacking energy: -91.185
Base-Backbone interact. energy: 1.287
local terms energy: -102.321843
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -22.385
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -21.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -354.027388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.027388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.027388 (E_RNA)
where:
Base-Base interactions energy: -248.977
where: short stacking energy: -98.990
Base-Backbone interact. energy: -0.484
local terms energy: -104.565726
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -24.684
flat angles P-C4'-P energy: -16.137
tors. eta vs tors. theta energy: -26.984
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: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -341.968527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.968527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.968527 (E_RNA)
where:
Base-Base interactions energy: -245.896
where: short stacking energy: -93.090
Base-Backbone interact. energy: -0.161
local terms energy: -95.912112
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -21.732
flat angles P-C4'-P energy: -17.529
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: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -335.903219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.903219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.903219 (E_RNA)
where:
Base-Base interactions energy: -234.871
where: short stacking energy: -95.163
Base-Backbone interact. energy: -0.573
local terms energy: -100.459709
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -24.341
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: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -281.552112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.552112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.552112 (E_RNA)
where:
Base-Base interactions energy: -189.378
where: short stacking energy: -75.515
Base-Backbone interact. energy: -0.216
local terms energy: -91.958015
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -18.072
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: 6, replica: 5
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -312.367881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.367881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.367881 (E_RNA)
where:
Base-Base interactions energy: -212.751
where: short stacking energy: -95.940
Base-Backbone interact. energy: -0.006
local terms energy: -99.610480
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -27.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -226.806042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.806042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.806042 (E_RNA)
where:
Base-Base interactions energy: -148.151
where: short stacking energy: -66.117
Base-Backbone interact. energy: -0.255
local terms energy: -78.400067
where:
bonds (distance) C4'-P energy: -10.151
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -14.947
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: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -174.167556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.167556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.167556 (E_RNA)
where:
Base-Base interactions energy: -121.094
where: short stacking energy: -46.483
Base-Backbone interact. energy: -0.427
local terms energy: -52.646642
where:
bonds (distance) C4'-P energy: -8.598
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -197.384234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.384234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.384234 (E_RNA)
where:
Base-Base interactions energy: -125.264
where: short stacking energy: -61.813
Base-Backbone interact. energy: -0.038
local terms energy: -72.082922
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -103.782763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.782763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.782763 (E_RNA)
where:
Base-Base interactions energy: -38.457
where: short stacking energy: -38.457
Base-Backbone interact. energy: 1.271
local terms energy: -66.596828
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -352.182515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.182515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.182515 (E_RNA)
where:
Base-Base interactions energy: -242.977
where: short stacking energy: -100.820
Base-Backbone interact. energy: -0.131
local terms energy: -109.074552
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: -28.468
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: 326
Temperature: 0.950000
Total energy: -356.534369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.534369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.534369 (E_RNA)
where:
Base-Base interactions energy: -256.994
where: short stacking energy: -94.247
Base-Backbone interact. energy: -1.635
local terms energy: -97.905318
where:
bonds (distance) C4'-P energy: -20.763
bonds (distance) P-C4' energy: -19.423
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -21.998
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: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -332.250159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.250159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.250159 (E_RNA)
where:
Base-Base interactions energy: -234.557
where: short stacking energy: -106.206
Base-Backbone interact. energy: -0.203
local terms energy: -97.489856
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -26.044
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: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -341.009890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.009890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.009890 (E_RNA)
where:
Base-Base interactions energy: -247.057
where: short stacking energy: -91.934
Base-Backbone interact. energy: -0.236
local terms energy: -93.717579
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -21.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -309.332678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.332678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.332678 (E_RNA)
where:
Base-Base interactions energy: -219.663
where: short stacking energy: -99.230
Base-Backbone interact. energy: -0.025
local terms energy: -89.644806
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -25.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -257.692786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.692786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.692786 (E_RNA)
where:
Base-Base interactions energy: -174.173
where: short stacking energy: -75.956
Base-Backbone interact. energy: -0.265
local terms energy: -83.254794
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -6.505
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: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -227.183254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.183254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.183254 (E_RNA)
where:
Base-Base interactions energy: -153.487
where: short stacking energy: -78.268
Base-Backbone interact. energy: -1.561
local terms energy: -72.135092
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -14.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -174.627861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.627861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.627861 (E_RNA)
where:
Base-Base interactions energy: -104.690
where: short stacking energy: -52.117
Base-Backbone interact. energy: -0.027
local terms energy: -69.910877
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -8.924
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: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -206.993233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.993233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.993233 (E_RNA)
where:
Base-Base interactions energy: -141.341
where: short stacking energy: -67.548
Base-Backbone interact. energy: -0.014
local terms energy: -65.638505
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -9.962
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: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -107.915719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.915719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.915719 (E_RNA)
where:
Base-Base interactions energy: -45.363
where: short stacking energy: -29.528
Base-Backbone interact. energy: -0.360
local terms energy: -62.192434
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -7.961
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: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -348.390877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.390877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.390877 (E_RNA)
where:
Base-Base interactions energy: -243.213
where: short stacking energy: -97.117
Base-Backbone interact. energy: -0.172
local terms energy: -105.005972
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -17.445
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -350.182884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.182884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.182884 (E_RNA)
where:
Base-Base interactions energy: -250.388
where: short stacking energy: -91.377
Base-Backbone interact. energy: -0.307
local terms energy: -99.487939
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -14.395
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: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -339.183129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.183129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.183129 (E_RNA)
where:
Base-Base interactions energy: -245.374
where: short stacking energy: -88.532
Base-Backbone interact. energy: -1.000
local terms energy: -92.809624
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -23.567
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: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -342.817388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.817388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.817388 (E_RNA)
where:
Base-Base interactions energy: -247.508
where: short stacking energy: -92.725
Base-Backbone interact. energy: -0.986
local terms energy: -94.323244
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -24.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -312.277533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.277533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.277533 (E_RNA)
where:
Base-Base interactions energy: -219.494
where: short stacking energy: -96.962
Base-Backbone interact. energy: -1.211
local terms energy: -91.572950
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -26.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -247.844346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.844346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.844346 (E_RNA)
where:
Base-Base interactions energy: -150.780
where: short stacking energy: -84.839
Base-Backbone interact. energy: -0.763
local terms energy: -96.302155
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -14.270
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: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -244.772993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.772993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.772993 (E_RNA)
where:
Base-Base interactions energy: -167.090
where: short stacking energy: -71.392
Base-Backbone interact. energy: -0.222
local terms energy: -77.461297
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -17.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -201.320998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.320998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.320998 (E_RNA)
where:
Base-Base interactions energy: -130.009
where: short stacking energy: -75.217
Base-Backbone interact. energy: -0.102
local terms energy: -71.210880
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -155.895663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.895663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.895663 (E_RNA)
where:
Base-Base interactions energy: -79.328
where: short stacking energy: -46.131
Base-Backbone interact. energy: -0.912
local terms energy: -75.655427
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -9.994
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: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -103.079121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.079121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.079121 (E_RNA)
where:
Base-Base interactions energy: -39.837
where: short stacking energy: -26.708
Base-Backbone interact. energy: -0.275
local terms energy: -62.967526
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -22.959
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: 3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -344.588451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.588451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.588451 (E_RNA)
where:
Base-Base interactions energy: -238.784
where: short stacking energy: -97.558
Base-Backbone interact. energy: -0.075
local terms energy: -105.729322
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -27.117
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: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -351.899094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.899094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.899094 (E_RNA)
where:
Base-Base interactions energy: -255.557
where: short stacking energy: -107.114
Base-Backbone interact. energy: -0.004
local terms energy: -96.338256
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -27.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -341.042934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.042934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.042934 (E_RNA)
where:
Base-Base interactions energy: -242.916
where: short stacking energy: -94.911
Base-Backbone interact. energy: -0.125
local terms energy: -98.002145
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -23.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -347.936861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.936861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.936861 (E_RNA)
where:
Base-Base interactions energy: -246.117
where: short stacking energy: -95.748
Base-Backbone interact. energy: -0.157
local terms energy: -101.662829
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -28.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -311.443043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.443043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.443043 (E_RNA)
where:
Base-Base interactions energy: -224.418
where: short stacking energy: -103.640
Base-Backbone interact. energy: -0.006
local terms energy: -87.018978
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -27.729
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: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -227.657068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.657068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.657068 (E_RNA)
where:
Base-Base interactions energy: -143.966
where: short stacking energy: -73.622
Base-Backbone interact. energy: -0.083
local terms energy: -83.608316
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -15.434
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: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -258.572858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.572858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.572858 (E_RNA)
where:
Base-Base interactions energy: -182.619
where: short stacking energy: -75.862
Base-Backbone interact. energy: -1.674
local terms energy: -74.280379
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -14.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -204.298062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.298062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.298062 (E_RNA)
where:
Base-Base interactions energy: -131.608
where: short stacking energy: -57.249
Base-Backbone interact. energy: -0.238
local terms energy: -72.451208
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -13.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -146.606105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.606105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.606105 (E_RNA)
where:
Base-Base interactions energy: -78.113
where: short stacking energy: -43.619
Base-Backbone interact. energy: -0.577
local terms energy: -67.915538
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -10.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -113.154237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.154237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.154237 (E_RNA)
where:
Base-Base interactions energy: -44.210
where: short stacking energy: -44.200
Base-Backbone interact. energy: -0.428
local terms energy: -68.516137
where:
bonds (distance) C4'-P energy: -22.323
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -359.478531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.478531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.478531 (E_RNA)
where:
Base-Base interactions energy: -256.939
where: short stacking energy: -99.024
Base-Backbone interact. energy: -0.327
local terms energy: -102.211782
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -26.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -350.736964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.736964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.736964 (E_RNA)
where:
Base-Base interactions energy: -249.538
where: short stacking energy: -90.317
Base-Backbone interact. energy: -0.185
local terms energy: -101.014457
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -19.905
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: 3, replica: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -349.826055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.826055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.826055 (E_RNA)
where:
Base-Base interactions energy: -243.010
where: short stacking energy: -107.291
Base-Backbone interact. energy: -0.046
local terms energy: -106.770294
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -21.101
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -27.768
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: 329
Temperature: 1.050000
Total energy: -312.877641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.877641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.877641 (E_RNA)
where:
Base-Base interactions energy: -220.418
where: short stacking energy: -102.748
Base-Backbone interact. energy: 1.170
local terms energy: -93.629679
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -24.307
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: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -333.167507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.167507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.167507 (E_RNA)
where:
Base-Base interactions energy: -232.990
where: short stacking energy: -91.238
Base-Backbone interact. energy: -0.137
local terms energy: -100.040500
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -24.661
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: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -272.831908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.831908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.831908 (E_RNA)
where:
Base-Base interactions energy: -185.619
where: short stacking energy: -84.206
Base-Backbone interact. energy: -0.147
local terms energy: -87.066486
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -21.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -226.778159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.778159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.778159 (E_RNA)
where:
Base-Base interactions energy: -136.194
where: short stacking energy: -64.679
Base-Backbone interact. energy: -0.013
local terms energy: -90.571188
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -204.577307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.577307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.577307 (E_RNA)
where:
Base-Base interactions energy: -127.808
where: short stacking energy: -58.250
Base-Backbone interact. energy: -0.312
local terms energy: -76.457153
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -141.366270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.366270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.366270 (E_RNA)
where:
Base-Base interactions energy: -77.645
where: short stacking energy: -44.755
Base-Backbone interact. energy: 0.560
local terms energy: -64.281167
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -104.225751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.225751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.225751 (E_RNA)
where:
Base-Base interactions energy: -37.060
where: short stacking energy: -34.545
Base-Backbone interact. energy: -0.062
local terms energy: -67.103204
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -4.509
tors. eta vs tors. theta energy: -9.257
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: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -362.346722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.346722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.346722 (E_RNA)
where:
Base-Base interactions energy: -257.668
where: short stacking energy: -107.102
Base-Backbone interact. energy: -0.006
local terms energy: -104.673165
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -27.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -362.250096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.250096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.250096 (E_RNA)
where:
Base-Base interactions energy: -256.267
where: short stacking energy: -100.280
Base-Backbone interact. energy: -0.165
local terms energy: -105.817481
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -24.157
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: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -345.822812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.822812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.822812 (E_RNA)
where:
Base-Base interactions energy: -237.181
where: short stacking energy: -103.366
Base-Backbone interact. energy: -1.645
local terms energy: -106.996604
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -28.844
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: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -320.776413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.776413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.776413 (E_RNA)
where:
Base-Base interactions energy: -226.577
where: short stacking energy: -83.499
Base-Backbone interact. energy: -0.145
local terms energy: -94.054383
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -25.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -329.911393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.911393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.911393 (E_RNA)
where:
Base-Base interactions energy: -236.471
where: short stacking energy: -91.780
Base-Backbone interact. energy: 0.455
local terms energy: -93.895431
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -23.531
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: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -262.863545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.863545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.863545 (E_RNA)
where:
Base-Base interactions energy: -180.431
where: short stacking energy: -75.968
Base-Backbone interact. energy: -0.013
local terms energy: -82.420122
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -197.904365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.904365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.904365 (E_RNA)
where:
Base-Base interactions energy: -124.516
where: short stacking energy: -58.196
Base-Backbone interact. energy: 1.754
local terms energy: -75.142631
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -202.673696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.673696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.673696 (E_RNA)
where:
Base-Base interactions energy: -123.422
where: short stacking energy: -52.058
Base-Backbone interact. energy: 0.961
local terms energy: -80.212652
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -11.538
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: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -120.522572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.522572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.522572 (E_RNA)
where:
Base-Base interactions energy: -53.950
where: short stacking energy: -47.971
Base-Backbone interact. energy: -0.033
local terms energy: -66.539180
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -139.138345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.138345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.138345 (E_RNA)
where:
Base-Base interactions energy: -77.795
where: short stacking energy: -51.020
Base-Backbone interact. energy: -0.739
local terms energy: -60.604310
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -8.486
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: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -364.977963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.977963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.977963 (E_RNA)
where:
Base-Base interactions energy: -254.775
where: short stacking energy: -102.272
Base-Backbone interact. energy: -0.151
local terms energy: -110.052102
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -22.395
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -30.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -351.125622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.125622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.125622 (E_RNA)
where:
Base-Base interactions energy: -248.607
where: short stacking energy: -95.186
Base-Backbone interact. energy: -0.239
local terms energy: -102.279879
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -26.532
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: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -351.908199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.908199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.908199 (E_RNA)
where:
Base-Base interactions energy: -244.475
where: short stacking energy: -99.547
Base-Backbone interact. energy: -0.043
local terms energy: -107.390070
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -17.379
tors. eta vs tors. theta energy: -28.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -336.022799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.022799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.022799 (E_RNA)
where:
Base-Base interactions energy: -240.741
where: short stacking energy: -102.073
Base-Backbone interact. energy: -0.238
local terms energy: -95.044400
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -28.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -313.854929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.854929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.854929 (E_RNA)
where:
Base-Base interactions energy: -219.876
where: short stacking energy: -95.010
Base-Backbone interact. energy: -0.105
local terms energy: -93.874093
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -12.011
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: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -268.388884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.388884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.388884 (E_RNA)
where:
Base-Base interactions energy: -182.966
where: short stacking energy: -71.064
Base-Backbone interact. energy: -0.249
local terms energy: -85.174332
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -11.544
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: 7, replica: 7
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -221.223877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.223877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.223877 (E_RNA)
where:
Base-Base interactions energy: -137.978
where: short stacking energy: -57.611
Base-Backbone interact. energy: -0.091
local terms energy: -83.154037
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -13.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -202.720941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.720941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.720941 (E_RNA)
where:
Base-Base interactions energy: -134.876
where: short stacking energy: -58.702
Base-Backbone interact. energy: -0.356
local terms energy: -67.489218
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -14.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -103.976483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.976483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.976483 (E_RNA)
where:
Base-Base interactions energy: -44.763
where: short stacking energy: -44.763
Base-Backbone interact. energy: -0.892
local terms energy: -58.322165
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -144.977880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.977880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.977880 (E_RNA)
where:
Base-Base interactions energy: -88.618
where: short stacking energy: -44.824
Base-Backbone interact. energy: -0.628
local terms energy: -55.732221
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -351.236764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.236764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.236764 (E_RNA)
where:
Base-Base interactions energy: -250.454
where: short stacking energy: -93.135
Base-Backbone interact. energy: -0.170
local terms energy: -100.612569
where:
bonds (distance) C4'-P energy: -23.561
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -15.818
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: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -350.092063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.092063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.092063 (E_RNA)
where:
Base-Base interactions energy: -248.306
where: short stacking energy: -93.146
Base-Backbone interact. energy: -0.121
local terms energy: -101.665110
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -344.115153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.115153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.115153 (E_RNA)
where:
Base-Base interactions energy: -237.078
where: short stacking energy: -99.909
Base-Backbone interact. energy: -0.003
local terms energy: -107.033418
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -26.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -335.781294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.781294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.781294 (E_RNA)
where:
Base-Base interactions energy: -244.154
where: short stacking energy: -103.669
Base-Backbone interact. energy: -0.001
local terms energy: -91.626061
where:
bonds (distance) C4'-P energy: -8.717
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -28.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -264.296484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.296484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.296484 (E_RNA)
where:
Base-Base interactions energy: -174.275
where: short stacking energy: -69.737
Base-Backbone interact. energy: -0.852
local terms energy: -89.169557
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -23.027
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -298.254354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.254354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.254354 (E_RNA)
where:
Base-Base interactions energy: -203.732
where: short stacking energy: -76.896
Base-Backbone interact. energy: -0.973
local terms energy: -93.549585
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -223.739437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.739437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.739437 (E_RNA)
where:
Base-Base interactions energy: -137.313
where: short stacking energy: -65.512
Base-Backbone interact. energy: 0.088
local terms energy: -86.514655
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -218.767121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.767121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.767121 (E_RNA)
where:
Base-Base interactions energy: -141.280
where: short stacking energy: -60.129
Base-Backbone interact. energy: -0.802
local terms energy: -76.685219
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -11.689
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: 332
Temperature: 1.300000
Total energy: -143.567610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.567610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.567610 (E_RNA)
where:
Base-Base interactions energy: -80.881
where: short stacking energy: -36.814
Base-Backbone interact. energy: 2.070
local terms energy: -64.756517
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -92.465566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.465566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.465566 (E_RNA)
where:
Base-Base interactions energy: -25.759
where: short stacking energy: -25.759
Base-Backbone interact. energy: -0.727
local terms energy: -65.979628
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -24.615
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -354.889746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.889746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.889746 (E_RNA)
where:
Base-Base interactions energy: -248.054
where: short stacking energy: -93.152
Base-Backbone interact. energy: -0.760
local terms energy: -106.075670
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -23.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -353.114129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.114129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.114129 (E_RNA)
where:
Base-Base interactions energy: -253.937
where: short stacking energy: -97.808
Base-Backbone interact. energy: -0.151
local terms energy: -99.026004
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -25.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -345.901205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.901205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.901205 (E_RNA)
where:
Base-Base interactions energy: -246.276
where: short stacking energy: -97.477
Base-Backbone interact. energy: -0.115
local terms energy: -99.510148
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -26.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -345.286141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.286141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.286141 (E_RNA)
where:
Base-Base interactions energy: -249.467
where: short stacking energy: -90.475
Base-Backbone interact. energy: -2.854
local terms energy: -92.964523
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -261.255848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.255848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.255848 (E_RNA)
where:
Base-Base interactions energy: -173.675
where: short stacking energy: -72.328
Base-Backbone interact. energy: -0.851
local terms energy: -86.730115
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -14.770
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -311.180066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.180066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.180066 (E_RNA)
where:
Base-Base interactions energy: -218.751
where: short stacking energy: -94.962
Base-Backbone interact. energy: -0.108
local terms energy: -92.321266
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -16.950
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -26.966
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: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -224.115124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.115124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.115124 (E_RNA)
where:
Base-Base interactions energy: -139.986
where: short stacking energy: -59.830
Base-Backbone interact. energy: -0.177
local terms energy: -83.951787
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -204.306013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.306013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.306013 (E_RNA)
where:
Base-Base interactions energy: -126.266
where: short stacking energy: -55.955
Base-Backbone interact. energy: -0.333
local terms energy: -77.706852
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -11.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -147.650923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.650923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.650923 (E_RNA)
where:
Base-Base interactions energy: -79.969
where: short stacking energy: -50.113
Base-Backbone interact. energy: -0.177
local terms energy: -67.505291
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -112.881126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.881126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.881126 (E_RNA)
where:
Base-Base interactions energy: -53.921
where: short stacking energy: -40.498
Base-Backbone interact. energy: -1.692
local terms energy: -57.267473
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -7.334
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -360.111373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.111373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.111373 (E_RNA)
where:
Base-Base interactions energy: -253.759
where: short stacking energy: -99.702
Base-Backbone interact. energy: -0.236
local terms energy: -106.116857
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -25.230
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: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -349.433833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.433833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.433833 (E_RNA)
where:
Base-Base interactions energy: -247.059
where: short stacking energy: -95.628
Base-Backbone interact. energy: -0.064
local terms energy: -102.310133
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -18.743
tors. eta vs tors. theta energy: -23.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -346.491265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.491265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.491265 (E_RNA)
where:
Base-Base interactions energy: -244.845
where: short stacking energy: -90.509
Base-Backbone interact. energy: -0.005
local terms energy: -101.641095
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -25.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -339.835340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.835340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.835340 (E_RNA)
where:
Base-Base interactions energy: -247.251
where: short stacking energy: -94.912
Base-Backbone interact. energy: -0.338
local terms energy: -92.246550
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -303.536843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.536843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.536843 (E_RNA)
where:
Base-Base interactions energy: -207.083
where: short stacking energy: -92.187
Base-Backbone interact. energy: -0.433
local terms energy: -96.020061
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -26.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -267.415919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.415919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.415919 (E_RNA)
where:
Base-Base interactions energy: -183.177
where: short stacking energy: -77.021
Base-Backbone interact. energy: -0.185
local terms energy: -84.053859
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -20.490
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: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -205.669745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.669745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.669745 (E_RNA)
where:
Base-Base interactions energy: -127.860
where: short stacking energy: -56.039
Base-Backbone interact. energy: 0.567
local terms energy: -78.376557
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -21.695
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -9.829
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: 8, replica: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -230.368544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.368544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.368544 (E_RNA)
where:
Base-Base interactions energy: -140.912
where: short stacking energy: -71.450
Base-Backbone interact. energy: -0.376
local terms energy: -89.081315
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -15.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -118.225366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.225366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.225366 (E_RNA)
where:
Base-Base interactions energy: -49.419
where: short stacking energy: -42.191
Base-Backbone interact. energy: -0.847
local terms energy: -67.958892
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -8.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -95.602404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.602404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.602404 (E_RNA)
where:
Base-Base interactions energy: -42.411
where: short stacking energy: -33.422
Base-Backbone interact. energy: -0.792
local terms energy: -52.399887
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: 2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -356.735049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.735049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.735049 (E_RNA)
where:
Base-Base interactions energy: -254.062
where: short stacking energy: -102.849
Base-Backbone interact. energy: -0.093
local terms energy: -102.580565
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -23.359
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -24.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -355.030155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.030155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.030155 (E_RNA)
where:
Base-Base interactions energy: -252.048
where: short stacking energy: -100.313
Base-Backbone interact. energy: -0.103
local terms energy: -102.879060
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -24.617
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: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -339.514288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.514288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.514288 (E_RNA)
where:
Base-Base interactions energy: -246.169
where: short stacking energy: -92.333
Base-Backbone interact. energy: -0.340
local terms energy: -93.005204
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -13.605
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: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -345.357384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.357384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.357384 (E_RNA)
where:
Base-Base interactions energy: -254.670
where: short stacking energy: -95.493
Base-Backbone interact. energy: -0.527
local terms energy: -90.160359
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -22.782
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: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -311.907257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.907257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.907257 (E_RNA)
where:
Base-Base interactions energy: -222.111
where: short stacking energy: -88.670
Base-Backbone interact. energy: -0.119
local terms energy: -89.676897
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -23.021
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: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -248.123858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.123858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.123858 (E_RNA)
where:
Base-Base interactions energy: -172.062
where: short stacking energy: -67.181
Base-Backbone interact. energy: -0.559
local terms energy: -75.502293
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -205.626604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.626604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.626604 (E_RNA)
where:
Base-Base interactions energy: -132.408
where: short stacking energy: -56.766
Base-Backbone interact. energy: -0.740
local terms energy: -72.478148
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -232.559651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.559651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.559651 (E_RNA)
where:
Base-Base interactions energy: -155.907
where: short stacking energy: -81.931
Base-Backbone interact. energy: -0.222
local terms energy: -76.431341
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -108.610912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.610912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.610912 (E_RNA)
where:
Base-Base interactions energy: -45.169
where: short stacking energy: -44.326
Base-Backbone interact. energy: -0.095
local terms energy: -63.346869
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -10.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -124.281859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.281859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.281859 (E_RNA)
where:
Base-Base interactions energy: -65.885
where: short stacking energy: -45.380
Base-Backbone interact. energy: -0.274
local terms energy: -58.123036
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -3.959
tors. eta vs tors. theta energy: -9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -352.594302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.594302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.594302 (E_RNA)
where:
Base-Base interactions energy: -244.546
where: short stacking energy: -91.900
Base-Backbone interact. energy: -0.268
local terms energy: -107.780009
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -26.662
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: 2, replica: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -354.517427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.517427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.517427 (E_RNA)
where:
Base-Base interactions energy: -258.657
where: short stacking energy: -102.471
Base-Backbone interact. energy: 0.736
local terms energy: -96.595897
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: -24.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -346.270339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.270339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.270339 (E_RNA)
where:
Base-Base interactions energy: -248.209
where: short stacking energy: -93.218
Base-Backbone interact. energy: -0.121
local terms energy: -97.939988
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -341.139421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.139421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.139421 (E_RNA)
where:
Base-Base interactions energy: -250.109
where: short stacking energy: -91.996
Base-Backbone interact. energy: -0.187
local terms energy: -90.842699
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -27.029
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: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -265.971580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.971580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.971580 (E_RNA)
where:
Base-Base interactions energy: -180.905
where: short stacking energy: -76.640
Base-Backbone interact. energy: -0.443
local terms energy: -84.623941
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -309.513580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.513580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.513580 (E_RNA)
where:
Base-Base interactions energy: -216.161
where: short stacking energy: -85.987
Base-Backbone interact. energy: -0.059
local terms energy: -93.293687
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -23.117
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: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -237.499832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.499832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.499832 (E_RNA)
where:
Base-Base interactions energy: -149.055
where: short stacking energy: -83.241
Base-Backbone interact. energy: -0.243
local terms energy: -88.201927
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -12.564
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: 8, replica: 7
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -193.696299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.696299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.696299 (E_RNA)
where:
Base-Base interactions energy: -114.611
where: short stacking energy: -59.136
Base-Backbone interact. energy: -0.198
local terms energy: -78.886515
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -13.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -159.121741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.121741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.121741 (E_RNA)
where:
Base-Base interactions energy: -83.933
where: short stacking energy: -48.965
Base-Backbone interact. energy: 0.402
local terms energy: -75.591079
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -13.000
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: 10, replica: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -113.745288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.745288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.745288 (E_RNA)
where:
Base-Base interactions energy: -49.431
where: short stacking energy: -28.520
Base-Backbone interact. energy: 1.729
local terms energy: -66.043423
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -21.864
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -0.513
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: 1, replica: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -354.931496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.931496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.931496 (E_RNA)
where:
Base-Base interactions energy: -245.862
where: short stacking energy: -87.839
Base-Backbone interact. energy: -0.476
local terms energy: -108.593414
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -24.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -356.334467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.334467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.334467 (E_RNA)
where:
Base-Base interactions energy: -257.769
where: short stacking energy: -101.206
Base-Backbone interact. energy: -0.234
local terms energy: -98.331384
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -26.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -352.234042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.234042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.234042 (E_RNA)
where:
Base-Base interactions energy: -253.911
where: short stacking energy: -94.138
Base-Backbone interact. energy: -0.093
local terms energy: -98.230125
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -23.114
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -24.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -337.901662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.901662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.901662 (E_RNA)
where:
Base-Base interactions energy: -235.816
where: short stacking energy: -88.497
Base-Backbone interact. energy: -0.054
local terms energy: -102.031247
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -17.559
tors. eta vs tors. theta energy: -23.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -278.763935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.763935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.763935 (E_RNA)
where:
Base-Base interactions energy: -188.063
where: short stacking energy: -86.478
Base-Backbone interact. energy: -0.127
local terms energy: -90.573991
where:
bonds (distance) C4'-P energy: -23.076
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -310.431625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.431625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.431625 (E_RNA)
where:
Base-Base interactions energy: -214.838
where: short stacking energy: -85.956
Base-Backbone interact. energy: -1.013
local terms energy: -94.580402
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -19.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -235.756221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.756221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.756221 (E_RNA)
where:
Base-Base interactions energy: -143.017
where: short stacking energy: -74.766
Base-Backbone interact. energy: 2.488
local terms energy: -95.226693
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -19.516
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: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -202.998394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.998394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.998394 (E_RNA)
where:
Base-Base interactions energy: -128.877
where: short stacking energy: -65.118
Base-Backbone interact. energy: -0.075
local terms energy: -74.045802
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -142.094294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.094294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.094294 (E_RNA)
where:
Base-Base interactions energy: -76.701
where: short stacking energy: -44.472
Base-Backbone interact. energy: -0.323
local terms energy: -65.069946
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -7.387
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: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -131.851337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.851337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.851337 (E_RNA)
where:
Base-Base interactions energy: -56.846
where: short stacking energy: -38.374
Base-Backbone interact. energy: -0.708
local terms energy: -74.297112
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -358.452981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.452981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.452981 (E_RNA)
where:
Base-Base interactions energy: -256.421
where: short stacking energy: -93.566
Base-Backbone interact. energy: -0.757
local terms energy: -101.274708
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -22.011
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: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -354.233028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.233028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.233028 (E_RNA)
where:
Base-Base interactions energy: -250.682
where: short stacking energy: -94.998
Base-Backbone interact. energy: -0.156
local terms energy: -103.394281
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -25.524
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: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -352.921295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.921295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.921295 (E_RNA)
where:
Base-Base interactions energy: -242.211
where: short stacking energy: -96.599
Base-Backbone interact. energy: -2.351
local terms energy: -108.359985
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -29.402
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: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -350.389037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.389037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.389037 (E_RNA)
where:
Base-Base interactions energy: -251.814
where: short stacking energy: -97.589
Base-Backbone interact. energy: -0.009
local terms energy: -98.565529
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -24.052
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: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -292.050332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.050332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.050332 (E_RNA)
where:
Base-Base interactions energy: -195.555
where: short stacking energy: -96.558
Base-Backbone interact. energy: -0.054
local terms energy: -96.441387
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -27.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -261.030368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.030368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.030368 (E_RNA)
where:
Base-Base interactions energy: -175.698
where: short stacking energy: -78.031
Base-Backbone interact. energy: 0.544
local terms energy: -85.876005
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -18.466
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: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -224.255363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.255363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.255363 (E_RNA)
where:
Base-Base interactions energy: -138.790
where: short stacking energy: -63.280
Base-Backbone interact. energy: -2.231
local terms energy: -83.233851
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -22.240
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -13.117
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: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -190.103083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.103083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.103083 (E_RNA)
where:
Base-Base interactions energy: -111.737
where: short stacking energy: -62.294
Base-Backbone interact. energy: -1.073
local terms energy: -77.292503
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -115.362234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.362234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.362234 (E_RNA)
where:
Base-Base interactions energy: -47.366
where: short stacking energy: -47.366
Base-Backbone interact. energy: -0.029
local terms energy: -67.967747
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: -7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -128.685252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.685252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.685252 (E_RNA)
where:
Base-Base interactions energy: -65.619
where: short stacking energy: -37.049
Base-Backbone interact. energy: -1.419
local terms energy: -61.647471
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: 2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -358.607670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.607670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.607670 (E_RNA)
where:
Base-Base interactions energy: -254.069
where: short stacking energy: -92.896
Base-Backbone interact. energy: -0.120
local terms energy: -104.418604
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: -25.073
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: 339
Temperature: 0.950000
Total energy: -351.863850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.863850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.863850 (E_RNA)
where:
Base-Base interactions energy: -247.894
where: short stacking energy: -97.535
Base-Backbone interact. energy: -0.142
local terms energy: -103.828180
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -22.582
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: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -337.279422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.279422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.279422 (E_RNA)
where:
Base-Base interactions energy: -237.403
where: short stacking energy: -93.847
Base-Backbone interact. energy: -0.159
local terms energy: -99.717450
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -17.394
tors. eta vs tors. theta energy: -24.924
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: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -349.329239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.329239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.329239 (E_RNA)
where:
Base-Base interactions energy: -244.583
where: short stacking energy: -90.631
Base-Backbone interact. energy: -0.130
local terms energy: -104.617008
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -23.773
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -23.112
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: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -307.128619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.128619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.128619 (E_RNA)
where:
Base-Base interactions energy: -215.414
where: short stacking energy: -87.078
Base-Backbone interact. energy: -0.265
local terms energy: -91.449561
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -258.699166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.699166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.699166 (E_RNA)
where:
Base-Base interactions energy: -187.132
where: short stacking energy: -73.506
Base-Backbone interact. energy: -0.443
local terms energy: -71.124315
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -8.791
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: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -221.432790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.432790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.432790 (E_RNA)
where:
Base-Base interactions energy: -144.055
where: short stacking energy: -66.944
Base-Backbone interact. energy: -0.264
local terms energy: -77.114133
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -10.031
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: 8, replica: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -201.555858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.555858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.555858 (E_RNA)
where:
Base-Base interactions energy: -115.601
where: short stacking energy: -60.877
Base-Backbone interact. energy: -0.200
local terms energy: -85.754754
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -10.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -128.379942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.379942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.379942 (E_RNA)
where:
Base-Base interactions energy: -54.532
where: short stacking energy: -50.863
Base-Backbone interact. energy: -0.286
local terms energy: -73.561757
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -119.146172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.146172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.146172 (E_RNA)
where:
Base-Base interactions energy: -56.977
where: short stacking energy: -33.212
Base-Backbone interact. energy: -0.190
local terms energy: -61.978860
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -354.136843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.136843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.136843 (E_RNA)
where:
Base-Base interactions energy: -250.097
where: short stacking energy: -100.064
Base-Backbone interact. energy: -0.468
local terms energy: -103.572087
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -28.210
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: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -359.126917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.126917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.126917 (E_RNA)
where:
Base-Base interactions energy: -271.008
where: short stacking energy: -95.621
Base-Backbone interact. energy: -0.148
local terms energy: -87.970926
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -20.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -349.893382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.893382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.893382 (E_RNA)
where:
Base-Base interactions energy: -252.045
where: short stacking energy: -95.281
Base-Backbone interact. energy: -0.363
local terms energy: -97.485321
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -22.090
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -336.984230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.984230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.984230 (E_RNA)
where:
Base-Base interactions energy: -243.708
where: short stacking energy: -86.291
Base-Backbone interact. energy: -0.285
local terms energy: -92.991525
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -22.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -303.286968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.286968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.286968 (E_RNA)
where:
Base-Base interactions energy: -207.164
where: short stacking energy: -84.555
Base-Backbone interact. energy: -0.103
local terms energy: -96.019998
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -255.299961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.299961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.299961 (E_RNA)
where:
Base-Base interactions energy: -176.415
where: short stacking energy: -83.541
Base-Backbone interact. energy: 0.228
local terms energy: -79.112632
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -13.526
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: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -211.536569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.536569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.536569 (E_RNA)
where:
Base-Base interactions energy: -128.526
where: short stacking energy: -59.511
Base-Backbone interact. energy: 0.438
local terms energy: -83.447948
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -195.322397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.322397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.322397 (E_RNA)
where:
Base-Base interactions energy: -115.580
where: short stacking energy: -54.671
Base-Backbone interact. energy: -0.253
local terms energy: -79.489151
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -12.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -106.666193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.666193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.666193 (E_RNA)
where:
Base-Base interactions energy: -38.947
where: short stacking energy: -35.000
Base-Backbone interact. energy: -0.455
local terms energy: -67.263821
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -21.032
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -113.643218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.643218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.643218 (E_RNA)
where:
Base-Base interactions energy: -56.196
where: short stacking energy: -34.448
Base-Backbone interact. energy: -0.378
local terms energy: -57.069243
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -20.397
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: 0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -359.262303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.262303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.262303 (E_RNA)
where:
Base-Base interactions energy: -252.291
where: short stacking energy: -95.720
Base-Backbone interact. energy: -0.326
local terms energy: -106.644867
where:
bonds (distance) C4'-P energy: -22.840
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -24.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -349.122956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.122956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.122956 (E_RNA)
where:
Base-Base interactions energy: -247.111
where: short stacking energy: -89.037
Base-Backbone interact. energy: -0.304
local terms energy: -101.708818
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -19.642
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -26.378
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: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -346.666047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.666047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.666047 (E_RNA)
where:
Base-Base interactions energy: -246.540
where: short stacking energy: -83.857
Base-Backbone interact. energy: -0.979
local terms energy: -99.147623
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -16.110
tors. eta vs tors. theta energy: -21.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -346.868015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.868015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.868015 (E_RNA)
where:
Base-Base interactions energy: -246.510
where: short stacking energy: -88.201
Base-Backbone interact. energy: -1.357
local terms energy: -99.000833
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -22.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -304.385787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.385787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.385787 (E_RNA)
where:
Base-Base interactions energy: -205.720
where: short stacking energy: -98.737
Base-Backbone interact. energy: -0.044
local terms energy: -98.620945
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -262.345220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.345220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.345220 (E_RNA)
where:
Base-Base interactions energy: -172.455
where: short stacking energy: -72.210
Base-Backbone interact. energy: -0.442
local terms energy: -89.447381
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -215.439825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.439825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.439825 (E_RNA)
where:
Base-Base interactions energy: -130.988
where: short stacking energy: -65.246
Base-Backbone interact. energy: -0.262
local terms energy: -84.190122
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -9.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -215.943660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.943660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.943660 (E_RNA)
where:
Base-Base interactions energy: -133.731
where: short stacking energy: -61.799
Base-Backbone interact. energy: -0.491
local terms energy: -81.721230
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -111.201149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.201149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.201149 (E_RNA)
where:
Base-Base interactions energy: -43.036
where: short stacking energy: -38.114
Base-Backbone interact. energy: -0.184
local terms energy: -67.981294
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -103.843389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.843389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.843389 (E_RNA)
where:
Base-Base interactions energy: -33.068
where: short stacking energy: -21.240
Base-Backbone interact. energy: -0.337
local terms energy: -70.439089
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -11.427
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: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -356.722735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.722735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.722735 (E_RNA)
where:
Base-Base interactions energy: -250.861
where: short stacking energy: -92.658
Base-Backbone interact. energy: -0.047
local terms energy: -105.814676
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -20.941
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -24.304
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: 10
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -345.649245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.649245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.649245 (E_RNA)
where:
Base-Base interactions energy: -245.412
where: short stacking energy: -94.202
Base-Backbone interact. energy: -0.105
local terms energy: -100.132321
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -340.921564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.921564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.921564 (E_RNA)
where:
Base-Base interactions energy: -247.376
where: short stacking energy: -92.812
Base-Backbone interact. energy: -0.463
local terms energy: -93.082457
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -22.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -340.298178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.298178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.298178 (E_RNA)
where:
Base-Base interactions energy: -241.685
where: short stacking energy: -91.518
Base-Backbone interact. energy: -0.298
local terms energy: -98.315416
where:
bonds (distance) C4'-P energy: -21.599
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -18.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -281.563391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.563391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.563391 (E_RNA)
where:
Base-Base interactions energy: -190.382
where: short stacking energy: -87.852
Base-Backbone interact. energy: -0.663
local terms energy: -90.518549
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -17.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -302.849083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.849083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.849083 (E_RNA)
where:
Base-Base interactions energy: -197.739
where: short stacking energy: -78.269
Base-Backbone interact. energy: -0.032
local terms energy: -105.078287
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -22.529
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: -23.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -238.210323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.210323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.210323 (E_RNA)
where:
Base-Base interactions energy: -148.428
where: short stacking energy: -71.372
Base-Backbone interact. energy: -0.331
local terms energy: -89.451238
where:
bonds (distance) C4'-P energy: -21.747
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -19.741
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: 342
Temperature: 1.250000
Total energy: -207.899820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.899820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.899820 (E_RNA)
where:
Base-Base interactions energy: -128.315
where: short stacking energy: -57.244
Base-Backbone interact. energy: -0.581
local terms energy: -79.003611
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -10.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -119.333300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.333300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.333300 (E_RNA)
where:
Base-Base interactions energy: -63.644
where: short stacking energy: -45.471
Base-Backbone interact. energy: 0.250
local terms energy: -55.939193
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -103.806572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.806572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.806572 (E_RNA)
where:
Base-Base interactions energy: -39.282
where: short stacking energy: -35.212
Base-Backbone interact. energy: -0.217
local terms energy: -64.307859
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -362.472565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.472565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.472565 (E_RNA)
where:
Base-Base interactions energy: -255.439
where: short stacking energy: -101.746
Base-Backbone interact. energy: -0.081
local terms energy: -106.952857
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -25.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -349.808758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.808758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.808758 (E_RNA)
where:
Base-Base interactions energy: -250.053
where: short stacking energy: -92.276
Base-Backbone interact. energy: -0.726
local terms energy: -99.029268
where:
bonds (distance) C4'-P energy: -22.484
bonds (distance) P-C4' energy: -19.198
flat angles C4'-P-C4' energy: -23.649
flat angles P-C4'-P energy: -16.441
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: 3, replica: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -346.619850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.619850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.619850 (E_RNA)
where:
Base-Base interactions energy: -249.465
where: short stacking energy: -99.341
Base-Backbone interact. energy: -0.667
local terms energy: -96.488784
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -25.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -337.315802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.315802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.315802 (E_RNA)
where:
Base-Base interactions energy: -237.246
where: short stacking energy: -94.693
Base-Backbone interact. energy: -0.080
local terms energy: -99.989865
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -19.975
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -16.960
tors. eta vs tors. theta energy: -23.923
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: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -281.652333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.652333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.652333 (E_RNA)
where:
Base-Base interactions energy: -193.205
where: short stacking energy: -88.609
Base-Backbone interact. energy: -0.510
local terms energy: -87.937081
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -22.038
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: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -312.138555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.138555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.138555 (E_RNA)
where:
Base-Base interactions energy: -232.352
where: short stacking energy: -91.075
Base-Backbone interact. energy: 1.171
local terms energy: -80.957887
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -20.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -246.999428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.999428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.999428 (E_RNA)
where:
Base-Base interactions energy: -166.337
where: short stacking energy: -75.073
Base-Backbone interact. energy: 1.020
local terms energy: -81.682139
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -19.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -211.126345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.126345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.126345 (E_RNA)
where:
Base-Base interactions energy: -134.421
where: short stacking energy: -58.979
Base-Backbone interact. energy: -1.104
local terms energy: -75.600754
where:
bonds (distance) C4'-P energy: -20.671
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -12.681
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: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -105.091756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.091756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.091756 (E_RNA)
where:
Base-Base interactions energy: -47.665
where: short stacking energy: -35.277
Base-Backbone interact. energy: 0.760
local terms energy: -58.186389
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -104.116200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.116200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.116200 (E_RNA)
where:
Base-Base interactions energy: -41.649
where: short stacking energy: -42.045
Base-Backbone interact. energy: -0.987
local terms energy: -61.480523
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -1.648
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: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -357.327520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.327520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.327520 (E_RNA)
where:
Base-Base interactions energy: -255.779
where: short stacking energy: -100.816
Base-Backbone interact. energy: -0.103
local terms energy: -101.446037
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -26.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -349.701499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.701499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.701499 (E_RNA)
where:
Base-Base interactions energy: -254.894
where: short stacking energy: -87.406
Base-Backbone interact. energy: -1.220
local terms energy: -93.587682
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -349.355774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.355774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.355774 (E_RNA)
where:
Base-Base interactions energy: -249.169
where: short stacking energy: -98.646
Base-Backbone interact. energy: -0.306
local terms energy: -99.880412
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -22.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -347.222219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.222219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.222219 (E_RNA)
where:
Base-Base interactions energy: -245.804
where: short stacking energy: -90.824
Base-Backbone interact. energy: -0.056
local terms energy: -101.361920
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -16.914
tors. eta vs tors. theta energy: -23.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -318.625176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.625176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.625176 (E_RNA)
where:
Base-Base interactions energy: -226.375
where: short stacking energy: -94.994
Base-Backbone interact. energy: -0.643
local terms energy: -91.607519
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -22.083
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -23.078
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: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -265.047467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.047467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.047467 (E_RNA)
where:
Base-Base interactions energy: -181.061
where: short stacking energy: -83.961
Base-Backbone interact. energy: -0.778
local terms energy: -83.208781
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -16.613
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: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -214.238329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.238329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.238329 (E_RNA)
where:
Base-Base interactions energy: -140.829
where: short stacking energy: -66.918
Base-Backbone interact. energy: -1.200
local terms energy: -72.208833
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -3.410
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: 8, replica: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -227.275735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.275735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.275735 (E_RNA)
where:
Base-Base interactions energy: -139.700
where: short stacking energy: -68.606
Base-Backbone interact. energy: -0.275
local terms energy: -87.301067
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -112.751297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.751297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.751297 (E_RNA)
where:
Base-Base interactions energy: -49.152
where: short stacking energy: -38.226
Base-Backbone interact. energy: 0.378
local terms energy: -63.976920
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -5.247
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: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -90.793819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.793819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.793819 (E_RNA)
where:
Base-Base interactions energy: -30.129
where: short stacking energy: -27.691
Base-Backbone interact. energy: -0.007
local terms energy: -60.657863
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: 2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -361.009494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.009494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.009494 (E_RNA)
where:
Base-Base interactions energy: -263.290
where: short stacking energy: -96.679
Base-Backbone interact. energy: -0.288
local terms energy: -97.431467
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -25.840
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: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -355.755934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.755934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.755934 (E_RNA)
where:
Base-Base interactions energy: -248.654
where: short stacking energy: -94.660
Base-Backbone interact. energy: -0.172
local terms energy: -106.930503
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -23.255
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -26.524
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: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -346.803366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.803366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.803366 (E_RNA)
where:
Base-Base interactions energy: -253.866
where: short stacking energy: -87.106
Base-Backbone interact. energy: -0.686
local terms energy: -92.251304
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -20.763
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: 345
Temperature: 1.050000
Total energy: -344.914975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.914975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.914975 (E_RNA)
where:
Base-Base interactions energy: -243.251
where: short stacking energy: -93.009
Base-Backbone interact. energy: -0.103
local terms energy: -101.560814
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -23.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -300.697209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.697209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.697209 (E_RNA)
where:
Base-Base interactions energy: -205.529
where: short stacking energy: -89.301
Base-Backbone interact. energy: -0.030
local terms energy: -95.138722
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -18.739
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -21.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -269.182337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.182337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.182337 (E_RNA)
where:
Base-Base interactions energy: -188.912
where: short stacking energy: -86.626
Base-Backbone interact. energy: -0.038
local terms energy: -80.232933
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -216.390533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.390533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.390533 (E_RNA)
where:
Base-Base interactions energy: -133.442
where: short stacking energy: -70.325
Base-Backbone interact. energy: -0.715
local terms energy: -82.233330
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -16.968
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: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -226.499156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.499156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.499156 (E_RNA)
where:
Base-Base interactions energy: -152.223
where: short stacking energy: -79.168
Base-Backbone interact. energy: -0.155
local terms energy: -74.120746
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -13.197
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: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -158.505108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.505108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.505108 (E_RNA)
where:
Base-Base interactions energy: -89.267
where: short stacking energy: -46.719
Base-Backbone interact. energy: -1.917
local terms energy: -67.320982
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -8.913
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: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -103.169790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.169790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.169790 (E_RNA)
where:
Base-Base interactions energy: -44.180
where: short stacking energy: -43.847
Base-Backbone interact. energy: -0.549
local terms energy: -58.441113
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -21.026
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -355.784191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.784191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.784191 (E_RNA)
where:
Base-Base interactions energy: -255.675
where: short stacking energy: -89.710
Base-Backbone interact. energy: -0.166
local terms energy: -99.943270
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -26.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -352.811202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.811202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.811202 (E_RNA)
where:
Base-Base interactions energy: -248.222
where: short stacking energy: -98.688
Base-Backbone interact. energy: -0.100
local terms energy: -104.488703
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -22.761
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: 346
Temperature: 1.000000
Total energy: -349.180304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.180304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.180304 (E_RNA)
where:
Base-Base interactions energy: -249.355
where: short stacking energy: -95.714
Base-Backbone interact. energy: -0.119
local terms energy: -99.706213
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -15.305
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: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -338.708547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.708547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.708547 (E_RNA)
where:
Base-Base interactions energy: -249.403
where: short stacking energy: -95.440
Base-Backbone interact. energy: -0.498
local terms energy: -88.807240
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -274.654207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.654207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.654207 (E_RNA)
where:
Base-Base interactions energy: -181.396
where: short stacking energy: -83.187
Base-Backbone interact. energy: 0.678
local terms energy: -93.935789
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -309.510248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.510248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.510248 (E_RNA)
where:
Base-Base interactions energy: -226.468
where: short stacking energy: -88.036
Base-Backbone interact. energy: -1.029
local terms energy: -82.012476
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -23.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -224.494534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.494534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.494534 (E_RNA)
where:
Base-Base interactions energy: -132.868
where: short stacking energy: -69.679
Base-Backbone interact. energy: -0.609
local terms energy: -91.018008
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -194.552944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.552944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.552944 (E_RNA)
where:
Base-Base interactions energy: -120.596
where: short stacking energy: -67.375
Base-Backbone interact. energy: -0.502
local terms energy: -73.454011
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -160.213609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.213609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.213609 (E_RNA)
where:
Base-Base interactions energy: -95.821
where: short stacking energy: -57.392
Base-Backbone interact. energy: -0.247
local terms energy: -64.145657
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -5.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -115.350630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.350630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.350630 (E_RNA)
where:
Base-Base interactions energy: -46.432
where: short stacking energy: -46.432
Base-Backbone interact. energy: -0.038
local terms energy: -68.880851
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -7.449
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: 10
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -365.084109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.084109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.084109 (E_RNA)
where:
Base-Base interactions energy: -254.373
where: short stacking energy: -96.261
Base-Backbone interact. energy: -0.103
local terms energy: -110.607623
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -19.071
tors. eta vs tors. theta energy: -28.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -360.062470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.062470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.062470 (E_RNA)
where:
Base-Base interactions energy: -262.310
where: short stacking energy: -103.797
Base-Backbone interact. energy: -0.219
local terms energy: -97.533085
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -25.163
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: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -347.386571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.386571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.386571 (E_RNA)
where:
Base-Base interactions energy: -247.042
where: short stacking energy: -95.289
Base-Backbone interact. energy: 1.180
local terms energy: -101.524329
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -22.358
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: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -339.577915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.577915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.577915 (E_RNA)
where:
Base-Base interactions energy: -255.849
where: short stacking energy: -93.823
Base-Backbone interact. energy: -1.332
local terms energy: -82.396636
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -277.939119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.939119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.939119 (E_RNA)
where:
Base-Base interactions energy: -185.166
where: short stacking energy: -85.590
Base-Backbone interact. energy: 1.689
local terms energy: -94.462859
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -314.518170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.518170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.518170 (E_RNA)
where:
Base-Base interactions energy: -230.697
where: short stacking energy: -93.927
Base-Backbone interact. energy: 2.181
local terms energy: -86.002156
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -18.029
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: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -233.552683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.552683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.552683 (E_RNA)
where:
Base-Base interactions energy: -139.962
where: short stacking energy: -71.785
Base-Backbone interact. energy: 0.219
local terms energy: -93.809555
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -170.414281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.414281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.414281 (E_RNA)
where:
Base-Base interactions energy: -100.711
where: short stacking energy: -52.584
Base-Backbone interact. energy: -1.455
local terms energy: -68.247664
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -8.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -201.663444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.663444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.663444 (E_RNA)
where:
Base-Base interactions energy: -122.141
where: short stacking energy: -52.444
Base-Backbone interact. energy: -0.604
local terms energy: -78.918559
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -115.709371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.709371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.709371 (E_RNA)
where:
Base-Base interactions energy: -38.803
where: short stacking energy: -38.803
Base-Backbone interact. energy: -0.176
local terms energy: -76.730528
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -8.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -356.137660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.137660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.137660 (E_RNA)
where:
Base-Base interactions energy: -251.466
where: short stacking energy: -95.931
Base-Backbone interact. energy: -0.634
local terms energy: -104.037662
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -21.851
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -24.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -351.712695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.712695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.712695 (E_RNA)
where:
Base-Base interactions energy: -249.706
where: short stacking energy: -88.145
Base-Backbone interact. energy: -0.092
local terms energy: -101.914947
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -17.926
tors. eta vs tors. theta energy: -22.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -343.581072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.581072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.581072 (E_RNA)
where:
Base-Base interactions energy: -252.984
where: short stacking energy: -92.589
Base-Backbone interact. energy: -0.240
local terms energy: -90.357212
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -23.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -338.587292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.587292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.587292 (E_RNA)
where:
Base-Base interactions energy: -244.871
where: short stacking energy: -98.827
Base-Backbone interact. energy: -0.052
local terms energy: -93.663937
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -22.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -311.309666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.309666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.309666 (E_RNA)
where:
Base-Base interactions energy: -228.613
where: short stacking energy: -95.599
Base-Backbone interact. energy: -0.662
local terms energy: -82.034722
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -275.330646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.330646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.330646 (E_RNA)
where:
Base-Base interactions energy: -186.339
where: short stacking energy: -87.803
Base-Backbone interact. energy: -0.014
local terms energy: -88.976752
where:
bonds (distance) C4'-P energy: -20.656
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -10.489
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: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -235.925857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.925857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.925857 (E_RNA)
where:
Base-Base interactions energy: -154.492
where: short stacking energy: -80.314
Base-Backbone interact. energy: -0.523
local terms energy: -80.910895
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -20.943
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: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -172.977772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.977772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.977772 (E_RNA)
where:
Base-Base interactions energy: -91.204
where: short stacking energy: -54.617
Base-Backbone interact. energy: -0.317
local terms energy: -81.456801
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -191.111578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.111578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.111578 (E_RNA)
where:
Base-Base interactions energy: -117.449
where: short stacking energy: -47.607
Base-Backbone interact. energy: 1.313
local terms energy: -74.976113
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -10.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -97.580602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.580602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.580602 (E_RNA)
where:
Base-Base interactions energy: -32.197
where: short stacking energy: -32.197
Base-Backbone interact. energy: -1.079
local terms energy: -64.304454
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -13.999
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: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -366.141400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.141400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.141400 (E_RNA)
where:
Base-Base interactions energy: -265.221
where: short stacking energy: -98.218
Base-Backbone interact. energy: -0.294
local terms energy: -100.627053
where:
bonds (distance) C4'-P energy: -21.421
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -24.545
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: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -349.700702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.700702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.700702 (E_RNA)
where:
Base-Base interactions energy: -242.607
where: short stacking energy: -96.056
Base-Backbone interact. energy: -0.389
local terms energy: -106.704274
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -24.128
flat angles P-C4'-P energy: -17.861
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -345.472712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.472712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.472712 (E_RNA)
where:
Base-Base interactions energy: -255.821
where: short stacking energy: -97.295
Base-Backbone interact. energy: -0.133
local terms energy: -89.518671
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -23.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -346.827094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.827094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.827094 (E_RNA)
where:
Base-Base interactions energy: -242.222
where: short stacking energy: -106.564
Base-Backbone interact. energy: -0.103
local terms energy: -104.502066
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -21.836
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -29.221
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: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -314.607769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.607769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.607769 (E_RNA)
where:
Base-Base interactions energy: -226.047
where: short stacking energy: -97.195
Base-Backbone interact. energy: -0.184
local terms energy: -88.376385
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -10.636
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: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -270.362604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.362604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.362604 (E_RNA)
where:
Base-Base interactions energy: -181.151
where: short stacking energy: -81.523
Base-Backbone interact. energy: -0.058
local terms energy: -89.153749
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -235.812335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.812335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.812335 (E_RNA)
where:
Base-Base interactions energy: -148.937
where: short stacking energy: -80.242
Base-Backbone interact. energy: -0.383
local terms energy: -86.491560
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -204.489567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.489567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.489567 (E_RNA)
where:
Base-Base interactions energy: -126.948
where: short stacking energy: -60.064
Base-Backbone interact. energy: -0.503
local terms energy: -77.038668
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -149.996166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.996166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.996166 (E_RNA)
where:
Base-Base interactions energy: -83.555
where: short stacking energy: -57.691
Base-Backbone interact. energy: -0.522
local terms energy: -65.919137
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -9.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -95.616022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.616022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.616022 (E_RNA)
where:
Base-Base interactions energy: -37.486
where: short stacking energy: -35.524
Base-Backbone interact. energy: 0.938
local terms energy: -59.067910
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: 1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -364.826582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.826582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.826582 (E_RNA)
where:
Base-Base interactions energy: -258.055
where: short stacking energy: -101.630
Base-Backbone interact. energy: -0.050
local terms energy: -106.721463
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -24.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -356.820721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.820721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.820721 (E_RNA)
where:
Base-Base interactions energy: -253.128
where: short stacking energy: -97.205
Base-Backbone interact. energy: -0.175
local terms energy: -103.518326
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -27.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -349.641190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.641190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.641190 (E_RNA)
where:
Base-Base interactions energy: -251.826
where: short stacking energy: -96.295
Base-Backbone interact. energy: -0.332
local terms energy: -97.483029
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -344.430729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.430729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.430729 (E_RNA)
where:
Base-Base interactions energy: -241.595
where: short stacking energy: -101.870
Base-Backbone interact. energy: -0.059
local terms energy: -102.776750
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: -26.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -291.800211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.800211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.800211 (E_RNA)
where:
Base-Base interactions energy: -191.586
where: short stacking energy: -96.569
Base-Backbone interact. energy: -0.034
local terms energy: -100.180280
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -26.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -323.699254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.699254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.699254 (E_RNA)
where:
Base-Base interactions energy: -231.900
where: short stacking energy: -85.745
Base-Backbone interact. energy: 0.093
local terms energy: -91.892114
where:
bonds (distance) C4'-P energy: -22.315
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -22.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -237.960540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.960540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.960540 (E_RNA)
where:
Base-Base interactions energy: -156.673
where: short stacking energy: -63.947
Base-Backbone interact. energy: -0.380
local terms energy: -80.907303
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -204.565497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.565497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.565497 (E_RNA)
where:
Base-Base interactions energy: -116.319
where: short stacking energy: -60.367
Base-Backbone interact. energy: 0.135
local terms energy: -88.381475
where:
bonds (distance) C4'-P energy: -21.457
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -13.310
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: 350
Temperature: 1.300000
Total energy: -107.666148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.666148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.666148 (E_RNA)
where:
Base-Base interactions energy: -41.004
where: short stacking energy: -32.496
Base-Backbone interact. energy: -0.279
local terms energy: -66.383112
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -143.319021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.319021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.319021 (E_RNA)
where:
Base-Base interactions energy: -72.554
where: short stacking energy: -38.244
Base-Backbone interact. energy: -0.140
local terms energy: -70.624636
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -356.183771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.183771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.183771 (E_RNA)
where:
Base-Base interactions energy: -258.574
where: short stacking energy: -100.995
Base-Backbone interact. energy: -0.143
local terms energy: -97.467265
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -26.675
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: 351
Temperature: 0.950000
Total energy: -353.101137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.101137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.101137 (E_RNA)
where:
Base-Base interactions energy: -248.529
where: short stacking energy: -99.392
Base-Backbone interact. energy: -0.127
local terms energy: -104.444652
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -24.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -345.319519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.319519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.319519 (E_RNA)
where:
Base-Base interactions energy: -244.896
where: short stacking energy: -92.577
Base-Backbone interact. energy: -0.953
local terms energy: -99.470548
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -19.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -333.522015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.522015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.522015 (E_RNA)
where:
Base-Base interactions energy: -238.015
where: short stacking energy: -90.750
Base-Backbone interact. energy: -0.246
local terms energy: -95.260797
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -15.207
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: 5, replica: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -269.746826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.746826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.746826 (E_RNA)
where:
Base-Base interactions energy: -188.233
where: short stacking energy: -85.719
Base-Backbone interact. energy: -0.268
local terms energy: -81.245115
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -24.153
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -292.912568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.912568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.912568 (E_RNA)
where:
Base-Base interactions energy: -205.576
where: short stacking energy: -93.159
Base-Backbone interact. energy: -0.016
local terms energy: -87.320561
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -24.256
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: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -231.866346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.866346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.866346 (E_RNA)
where:
Base-Base interactions energy: -141.638
where: short stacking energy: -77.449
Base-Backbone interact. energy: 0.184
local terms energy: -90.412010
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -19.359
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -18.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -202.722537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.722537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.722537 (E_RNA)
where:
Base-Base interactions energy: -137.063
where: short stacking energy: -46.895
Base-Backbone interact. energy: 2.306
local terms energy: -67.965900
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -114.701898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.701898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.701898 (E_RNA)
where:
Base-Base interactions energy: -54.566
where: short stacking energy: -36.768
Base-Backbone interact. energy: 0.131
local terms energy: -60.266297
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -141.641147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.641147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.641147 (E_RNA)
where:
Base-Base interactions energy: -69.533
where: short stacking energy: -37.167
Base-Backbone interact. energy: -0.682
local terms energy: -71.426774
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -365.395040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.395040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.395040 (E_RNA)
where:
Base-Base interactions energy: -258.274
where: short stacking energy: -99.808
Base-Backbone interact. energy: -0.388
local terms energy: -106.732725
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -21.857
flat angles P-C4'-P energy: -17.205
tors. eta vs tors. theta energy: -27.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -352.548713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.548713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.548713 (E_RNA)
where:
Base-Base interactions energy: -255.213
where: short stacking energy: -94.827
Base-Backbone interact. energy: -0.731
local terms energy: -96.604551
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -17.907
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -345.472101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.472101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.472101 (E_RNA)
where:
Base-Base interactions energy: -255.232
where: short stacking energy: -93.255
Base-Backbone interact. energy: -0.420
local terms energy: -89.819787
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -337.250465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.250465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.250465 (E_RNA)
where:
Base-Base interactions energy: -239.628
where: short stacking energy: -91.187
Base-Backbone interact. energy: 0.377
local terms energy: -97.999851
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -26.362
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: 5, replica: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -320.499663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.499663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.499663 (E_RNA)
where:
Base-Base interactions energy: -220.432
where: short stacking energy: -98.217
Base-Backbone interact. energy: -0.370
local terms energy: -99.697256
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -23.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -261.623288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.623288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.623288 (E_RNA)
where:
Base-Base interactions energy: -171.781
where: short stacking energy: -82.096
Base-Backbone interact. energy: -0.034
local terms energy: -89.808128
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -23.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -228.142263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.142263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.142263 (E_RNA)
where:
Base-Base interactions energy: -148.840
where: short stacking energy: -79.559
Base-Backbone interact. energy: -0.768
local terms energy: -78.534179
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -17.159
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: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -206.045908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.045908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.045908 (E_RNA)
where:
Base-Base interactions energy: -129.446
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.284
local terms energy: -76.316428
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -109.879066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.879066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.879066 (E_RNA)
where:
Base-Base interactions energy: -54.650
where: short stacking energy: -40.368
Base-Backbone interact. energy: -0.274
local terms energy: -54.954837
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: 0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -111.282203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.282203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.282203 (E_RNA)
where:
Base-Base interactions energy: -52.240
where: short stacking energy: -29.718
Base-Backbone interact. energy: -0.508
local terms energy: -58.533849
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: 4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -362.503620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.503620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.503620 (E_RNA)
where:
Base-Base interactions energy: -256.535
where: short stacking energy: -92.610
Base-Backbone interact. energy: -0.175
local terms energy: -105.793745
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -23.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -354.525639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.525639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.525639 (E_RNA)
where:
Base-Base interactions energy: -253.101
where: short stacking energy: -98.070
Base-Backbone interact. energy: -0.104
local terms energy: -101.320738
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -29.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -349.040885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.040885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.040885 (E_RNA)
where:
Base-Base interactions energy: -255.479
where: short stacking energy: -97.519
Base-Backbone interact. energy: 1.032
local terms energy: -94.593782
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -18.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -338.855908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.855908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.855908 (E_RNA)
where:
Base-Base interactions energy: -239.471
where: short stacking energy: -91.810
Base-Backbone interact. energy: -0.689
local terms energy: -98.696312
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -24.081
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: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -322.531725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.531725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.531725 (E_RNA)
where:
Base-Base interactions energy: -216.756
where: short stacking energy: -81.396
Base-Backbone interact. energy: -1.552
local terms energy: -104.223857
where:
bonds (distance) C4'-P energy: -22.384
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -24.781
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: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -266.803546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.803546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.803546 (E_RNA)
where:
Base-Base interactions energy: -175.073
where: short stacking energy: -75.710
Base-Backbone interact. energy: -0.141
local terms energy: -91.589629
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -228.256441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.256441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.256441 (E_RNA)
where:
Base-Base interactions energy: -132.325
where: short stacking energy: -71.156
Base-Backbone interact. energy: -0.053
local terms energy: -95.879123
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -19.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -144.994595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.994595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.994595 (E_RNA)
where:
Base-Base interactions energy: -73.564
where: short stacking energy: -40.495
Base-Backbone interact. energy: -0.443
local terms energy: -70.987364
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -202.152164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.152164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.152164 (E_RNA)
where:
Base-Base interactions energy: -128.442
where: short stacking energy: -66.401
Base-Backbone interact. energy: -0.100
local terms energy: -73.610210
where:
bonds (distance) C4'-P energy: -9.505
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -9.712
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: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -98.473797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.473797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.473797 (E_RNA)
where:
Base-Base interactions energy: -30.544
where: short stacking energy: -28.225
Base-Backbone interact. energy: -0.422
local terms energy: -67.507827
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -11.800
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: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -360.108614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.108614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.108614 (E_RNA)
where:
Base-Base interactions energy: -261.281
where: short stacking energy: -96.908
Base-Backbone interact. energy: 0.745
local terms energy: -99.572507
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -19.354
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -26.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -357.146909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.146909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.146909 (E_RNA)
where:
Base-Base interactions energy: -254.441
where: short stacking energy: -92.423
Base-Backbone interact. energy: -0.204
local terms energy: -102.501788
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -24.376
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: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -347.369217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.369217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.369217 (E_RNA)
where:
Base-Base interactions energy: -248.074
where: short stacking energy: -94.618
Base-Backbone interact. energy: 0.657
local terms energy: -99.951445
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -21.766
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: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -328.126418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.126418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.126418 (E_RNA)
where:
Base-Base interactions energy: -223.519
where: short stacking energy: -99.672
Base-Backbone interact. energy: -1.633
local terms energy: -102.974026
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -16.165
tors. eta vs tors. theta energy: -27.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -327.656441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.656441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.656441 (E_RNA)
where:
Base-Base interactions energy: -233.675
where: short stacking energy: -89.819
Base-Backbone interact. energy: 2.948
local terms energy: -96.929795
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -24.349
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: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -255.885748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.885748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.885748 (E_RNA)
where:
Base-Base interactions energy: -173.048
where: short stacking energy: -71.607
Base-Backbone interact. energy: 0.508
local terms energy: -83.346492
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -12.794
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: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -239.145788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.145788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.145788 (E_RNA)
where:
Base-Base interactions energy: -155.873
where: short stacking energy: -77.505
Base-Backbone interact. energy: -0.415
local terms energy: -82.858113
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -169.141774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.141774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.141774 (E_RNA)
where:
Base-Base interactions energy: -105.449
where: short stacking energy: -56.130
Base-Backbone interact. energy: -0.249
local terms energy: -63.442951
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -8.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -198.046498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.046498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.046498 (E_RNA)
where:
Base-Base interactions energy: -124.944
where: short stacking energy: -64.996
Base-Backbone interact. energy: -0.271
local terms energy: -72.831621
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -8.605
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: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -97.608288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.608288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.608288 (E_RNA)
where:
Base-Base interactions energy: -25.631
where: short stacking energy: -25.631
Base-Backbone interact. energy: 0.496
local terms energy: -72.473333
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -359.836462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.836462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.836462 (E_RNA)
where:
Base-Base interactions energy: -259.699
where: short stacking energy: -95.945
Base-Backbone interact. energy: -0.080
local terms energy: -100.057523
where:
bonds (distance) C4'-P energy: -23.071
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -23.102
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: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -344.706579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.706579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.706579 (E_RNA)
where:
Base-Base interactions energy: -238.825
where: short stacking energy: -103.980
Base-Backbone interact. energy: -1.072
local terms energy: -104.809272
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -17.867
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: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -342.938794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.938794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.938794 (E_RNA)
where:
Base-Base interactions energy: -248.784
where: short stacking energy: -96.148
Base-Backbone interact. energy: -0.460
local terms energy: -93.694556
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -24.101
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: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -342.685746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.685746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.685746 (E_RNA)
where:
Base-Base interactions energy: -248.656
where: short stacking energy: -102.125
Base-Backbone interact. energy: -0.419
local terms energy: -93.610829
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -25.202
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: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -318.077010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.077010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.077010 (E_RNA)
where:
Base-Base interactions energy: -226.512
where: short stacking energy: -89.118
Base-Backbone interact. energy: -0.946
local terms energy: -90.619189
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -25.285
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: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -271.357316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.357316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.357316 (E_RNA)
where:
Base-Base interactions energy: -187.031
where: short stacking energy: -88.278
Base-Backbone interact. energy: -0.580
local terms energy: -83.746681
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -24.202
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: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -222.073525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.073525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.073525 (E_RNA)
where:
Base-Base interactions energy: -145.365
where: short stacking energy: -71.729
Base-Backbone interact. energy: -0.106
local terms energy: -76.602540
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -198.820021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.820021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.820021 (E_RNA)
where:
Base-Base interactions energy: -125.094
where: short stacking energy: -62.381
Base-Backbone interact. energy: -0.613
local terms energy: -73.113369
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -156.108170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.108170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.108170 (E_RNA)
where:
Base-Base interactions energy: -84.690
where: short stacking energy: -47.858
Base-Backbone interact. energy: -0.592
local terms energy: -70.826204
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -20.750
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: 0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -111.567245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.567245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.567245 (E_RNA)
where:
Base-Base interactions energy: -53.182
where: short stacking energy: -26.539
Base-Backbone interact. energy: -0.606
local terms energy: -57.778918
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -369.435654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.435654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.435654 (E_RNA)
where:
Base-Base interactions energy: -266.425
where: short stacking energy: -92.663
Base-Backbone interact. energy: -1.173
local terms energy: -101.837418
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -22.727
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -25.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -356.253572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.253572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.253572 (E_RNA)
where:
Base-Base interactions energy: -263.864
where: short stacking energy: -102.614
Base-Backbone interact. energy: -0.135
local terms energy: -92.254836
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -19.591
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: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -346.168223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.168223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.168223 (E_RNA)
where:
Base-Base interactions energy: -245.807
where: short stacking energy: -90.096
Base-Backbone interact. energy: -0.213
local terms energy: -100.148584
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -16.288
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: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -342.149963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.149963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.149963 (E_RNA)
where:
Base-Base interactions energy: -241.951
where: short stacking energy: -96.362
Base-Backbone interact. energy: -0.066
local terms energy: -100.133250
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -25.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -323.784206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.784206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.784206 (E_RNA)
where:
Base-Base interactions energy: -225.693
where: short stacking energy: -93.640
Base-Backbone interact. energy: -0.413
local terms energy: -97.678066
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -23.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -265.107593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.107593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.107593 (E_RNA)
where:
Base-Base interactions energy: -174.678
where: short stacking energy: -74.104
Base-Backbone interact. energy: -0.041
local terms energy: -90.388737
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -14.998
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: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -227.767815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.767815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.767815 (E_RNA)
where:
Base-Base interactions energy: -150.839
where: short stacking energy: -71.082
Base-Backbone interact. energy: 0.011
local terms energy: -76.939911
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -22.459
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -181.825513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.825513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.825513 (E_RNA)
where:
Base-Base interactions energy: -114.897
where: short stacking energy: -57.909
Base-Backbone interact. energy: -0.024
local terms energy: -66.905271
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -106.472648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.472648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.472648 (E_RNA)
where:
Base-Base interactions energy: -51.071
where: short stacking energy: -29.752
Base-Backbone interact. energy: -0.164
local terms energy: -55.237202
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: 1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -138.779156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.779156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.779156 (E_RNA)
where:
Base-Base interactions energy: -76.315
where: short stacking energy: -33.884
Base-Backbone interact. energy: -0.188
local terms energy: -62.276119
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: 2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -363.501364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.501364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.501364 (E_RNA)
where:
Base-Base interactions energy: -257.993
where: short stacking energy: -95.974
Base-Backbone interact. energy: -0.422
local terms energy: -105.086497
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -17.191
tors. eta vs tors. theta energy: -25.554
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: 2, replica: 10
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -342.624179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.624179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.624179 (E_RNA)
where:
Base-Base interactions energy: -246.550
where: short stacking energy: -92.539
Base-Backbone interact. energy: -0.178
local terms energy: -95.896973
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -23.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -348.843887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.843887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.843887 (E_RNA)
where:
Base-Base interactions energy: -253.809
where: short stacking energy: -93.406
Base-Backbone interact. energy: -0.723
local terms energy: -94.312403
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -330.995686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.995686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.995686 (E_RNA)
where:
Base-Base interactions energy: -234.696
where: short stacking energy: -99.394
Base-Backbone interact. energy: -0.192
local terms energy: -96.107443
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -26.485
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: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -328.898488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.898488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.898488 (E_RNA)
where:
Base-Base interactions energy: -235.551
where: short stacking energy: -85.352
Base-Backbone interact. energy: -0.560
local terms energy: -92.787834
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -21.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -233.007544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.007544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.007544 (E_RNA)
where:
Base-Base interactions energy: -148.916
where: short stacking energy: -72.478
Base-Backbone interact. energy: 0.392
local terms energy: -84.483714
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -20.909
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -256.679443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.679443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.679443 (E_RNA)
where:
Base-Base interactions energy: -171.264
where: short stacking energy: -72.742
Base-Backbone interact. energy: -0.404
local terms energy: -85.011479
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -23.759
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -176.307228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.307228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.307228 (E_RNA)
where:
Base-Base interactions energy: -99.116
where: short stacking energy: -58.420
Base-Backbone interact. energy: -0.245
local terms energy: -76.946203
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -112.924619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.924619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.924619 (E_RNA)
where:
Base-Base interactions energy: -51.899
where: short stacking energy: -31.066
Base-Backbone interact. energy: -0.283
local terms energy: -60.742946
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: 3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -168.138577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.138577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.138577 (E_RNA)
where:
Base-Base interactions energy: -100.792
where: short stacking energy: -58.298
Base-Backbone interact. energy: -0.151
local terms energy: -67.195653
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -10.920
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: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -354.271940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.271940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.271940 (E_RNA)
where:
Base-Base interactions energy: -248.958
where: short stacking energy: -90.377
Base-Backbone interact. energy: -0.106
local terms energy: -105.207271
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -14.394
tors. eta vs tors. theta energy: -27.819
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: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -357.217732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.217732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.217732 (E_RNA)
where:
Base-Base interactions energy: -261.543
where: short stacking energy: -101.310
Base-Backbone interact. energy: -0.724
local terms energy: -94.949965
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -22.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -339.652373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.652373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.652373 (E_RNA)
where:
Base-Base interactions energy: -233.149
where: short stacking energy: -101.920
Base-Backbone interact. energy: -0.729
local terms energy: -105.774310
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -23.844
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -26.874
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: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -342.157834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.157834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.157834 (E_RNA)
where:
Base-Base interactions energy: -243.516
where: short stacking energy: -87.674
Base-Backbone interact. energy: -0.107
local terms energy: -98.534808
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -23.652
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -332.072030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.072030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.072030 (E_RNA)
where:
Base-Base interactions energy: -235.414
where: short stacking energy: -90.536
Base-Backbone interact. energy: -0.090
local terms energy: -96.567236
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -24.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -275.990833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.990833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.990833 (E_RNA)
where:
Base-Base interactions energy: -189.093
where: short stacking energy: -73.345
Base-Backbone interact. energy: -0.142
local terms energy: -86.756638
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -13.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -262.724008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.724008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.724008 (E_RNA)
where:
Base-Base interactions energy: -180.196
where: short stacking energy: -82.914
Base-Backbone interact. energy: -0.060
local terms energy: -82.468255
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -11.547
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: 8, replica: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -183.946518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.946518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.946518 (E_RNA)
where:
Base-Base interactions energy: -109.185
where: short stacking energy: -57.066
Base-Backbone interact. energy: -0.262
local terms energy: -74.499298
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -22.124
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -172.602566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.602566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.602566 (E_RNA)
where:
Base-Base interactions energy: -96.825
where: short stacking energy: -55.754
Base-Backbone interact. energy: 0.218
local terms energy: -75.995375
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -12.939
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: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -116.675703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.675703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.675703 (E_RNA)
where:
Base-Base interactions energy: -39.912
where: short stacking energy: -34.119
Base-Backbone interact. energy: -0.667
local terms energy: -76.096450
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -6.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -360.089481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.089481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.089481 (E_RNA)
where:
Base-Base interactions energy: -253.822
where: short stacking energy: -89.798
Base-Backbone interact. energy: -0.753
local terms energy: -105.514549
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -26.957
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -24.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -338.519628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.519628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.519628 (E_RNA)
where:
Base-Base interactions energy: -236.011
where: short stacking energy: -101.454
Base-Backbone interact. energy: 0.645
local terms energy: -103.153568
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -25.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -353.578631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.578631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.578631 (E_RNA)
where:
Base-Base interactions energy: -249.025
where: short stacking energy: -95.665
Base-Backbone interact. energy: -0.119
local terms energy: -104.434820
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -24.515
flat angles P-C4'-P energy: -16.705
tors. eta vs tors. theta energy: -25.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -337.910018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.910018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.910018 (E_RNA)
where:
Base-Base interactions energy: -228.458
where: short stacking energy: -97.640
Base-Backbone interact. energy: -0.456
local terms energy: -108.995407
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -22.737
flat angles P-C4'-P energy: -19.991
tors. eta vs tors. theta energy: -26.262
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: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -337.200723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.200723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.200723 (E_RNA)
where:
Base-Base interactions energy: -244.527
where: short stacking energy: -94.494
Base-Backbone interact. energy: -0.053
local terms energy: -92.621140
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -280.218045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.218045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.218045 (E_RNA)
where:
Base-Base interactions energy: -185.845
where: short stacking energy: -85.820
Base-Backbone interact. energy: -1.849
local terms energy: -92.524759
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -256.722116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.722116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.722116 (E_RNA)
where:
Base-Base interactions energy: -172.151
where: short stacking energy: -72.392
Base-Backbone interact. energy: -0.176
local terms energy: -84.394983
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -196.099030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.099030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.099030 (E_RNA)
where:
Base-Base interactions energy: -117.599
where: short stacking energy: -68.121
Base-Backbone interact. energy: -0.426
local terms energy: -78.074291
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -193.294045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.294045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.294045 (E_RNA)
where:
Base-Base interactions energy: -127.345
where: short stacking energy: -55.531
Base-Backbone interact. energy: -0.096
local terms energy: -65.853547
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -7.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -104.917377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.917377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.917377 (E_RNA)
where:
Base-Base interactions energy: -37.873
where: short stacking energy: -36.127
Base-Backbone interact. energy: 2.130
local terms energy: -69.174352
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -8.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -365.719009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.719009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.719009 (E_RNA)
where:
Base-Base interactions energy: -266.898
where: short stacking energy: -104.832
Base-Backbone interact. energy: -0.363
local terms energy: -98.457626
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -23.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -333.515542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.515542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.515542 (E_RNA)
where:
Base-Base interactions energy: -241.592
where: short stacking energy: -100.315
Base-Backbone interact. energy: -0.415
local terms energy: -91.508850
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -12.086
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: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -340.997842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.997842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.997842 (E_RNA)
where:
Base-Base interactions energy: -241.199
where: short stacking energy: -92.171
Base-Backbone interact. energy: -0.013
local terms energy: -99.785897
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -27.101
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: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -352.623982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.623982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.623982 (E_RNA)
where:
Base-Base interactions energy: -257.829
where: short stacking energy: -95.186
Base-Backbone interact. energy: -0.185
local terms energy: -94.610109
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -17.888
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -23.518
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: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -333.247011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.247011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.247011 (E_RNA)
where:
Base-Base interactions energy: -243.812
where: short stacking energy: -94.897
Base-Backbone interact. energy: -0.492
local terms energy: -88.943276
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -274.305439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.305439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.305439 (E_RNA)
where:
Base-Base interactions energy: -179.230
where: short stacking energy: -76.277
Base-Backbone interact. energy: -0.444
local terms energy: -94.631768
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -16.623
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: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -270.162694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.162694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.162694 (E_RNA)
where:
Base-Base interactions energy: -178.349
where: short stacking energy: -72.716
Base-Backbone interact. energy: 2.722
local terms energy: -94.535742
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -208.745744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.745744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.745744 (E_RNA)
where:
Base-Base interactions energy: -131.493
where: short stacking energy: -63.693
Base-Backbone interact. energy: -0.819
local terms energy: -76.433346
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -193.222246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.222246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.222246 (E_RNA)
where:
Base-Base interactions energy: -128.767
where: short stacking energy: -53.459
Base-Backbone interact. energy: 0.210
local terms energy: -64.666232
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -21.435
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -106.457345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.457345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.457345 (E_RNA)
where:
Base-Base interactions energy: -34.867
where: short stacking energy: -34.726
Base-Backbone interact. energy: 0.239
local terms energy: -71.830052
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -9.089
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: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -362.633864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.633864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.633864 (E_RNA)
where:
Base-Base interactions energy: -257.865
where: short stacking energy: -98.281
Base-Backbone interact. energy: 0.095
local terms energy: -104.863091
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -24.639
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -24.165
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: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -341.147952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.147952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.147952 (E_RNA)
where:
Base-Base interactions energy: -241.733
where: short stacking energy: -93.179
Base-Backbone interact. energy: -0.165
local terms energy: -99.249627
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -17.094
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: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -338.065989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.065989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.065989 (E_RNA)
where:
Base-Base interactions energy: -240.712
where: short stacking energy: -99.199
Base-Backbone interact. energy: 2.122
local terms energy: -99.475744
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -18.574
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -22.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -340.890920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.890920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.890920 (E_RNA)
where:
Base-Base interactions energy: -240.343
where: short stacking energy: -94.946
Base-Backbone interact. energy: -0.032
local terms energy: -100.516626
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -344.212169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.212169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.212169 (E_RNA)
where:
Base-Base interactions energy: -251.891
where: short stacking energy: -94.836
Base-Backbone interact. energy: -0.090
local terms energy: -92.231878
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -19.536
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: 361
Temperature: 1.150000
Total energy: -254.269165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.269165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.269165 (E_RNA)
where:
Base-Base interactions energy: -173.436
where: short stacking energy: -75.210
Base-Backbone interact. energy: -0.216
local terms energy: -80.617627
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -7.818
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: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -277.150998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.150998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.150998 (E_RNA)
where:
Base-Base interactions energy: -189.221
where: short stacking energy: -76.536
Base-Backbone interact. energy: -0.326
local terms energy: -87.604420
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -16.625
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: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -206.548282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.548282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.548282 (E_RNA)
where:
Base-Base interactions energy: -120.122
where: short stacking energy: -53.840
Base-Backbone interact. energy: -0.106
local terms energy: -86.320679
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -12.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -165.074866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.074866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.074866 (E_RNA)
where:
Base-Base interactions energy: -98.689
where: short stacking energy: -44.052
Base-Backbone interact. energy: -0.371
local terms energy: -66.014450
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -0.139
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: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -95.278416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.278416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.278416 (E_RNA)
where:
Base-Base interactions energy: -37.031
where: short stacking energy: -35.864
Base-Backbone interact. energy: -0.310
local terms energy: -57.937632
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -354.179125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.179125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.179125 (E_RNA)
where:
Base-Base interactions energy: -253.378
where: short stacking energy: -100.245
Base-Backbone interact. energy: -0.360
local terms energy: -100.441594
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -24.515
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: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -351.405038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.405038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.405038 (E_RNA)
where:
Base-Base interactions energy: -245.146
where: short stacking energy: -98.904
Base-Backbone interact. energy: -0.089
local terms energy: -106.170365
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -26.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -351.790549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.790549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.790549 (E_RNA)
where:
Base-Base interactions energy: -244.920
where: short stacking energy: -92.363
Base-Backbone interact. energy: -0.140
local terms energy: -106.730539
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -19.211
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -318.239782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.239782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.239782 (E_RNA)
where:
Base-Base interactions energy: -227.660
where: short stacking energy: -95.986
Base-Backbone interact. energy: -0.682
local terms energy: -89.897081
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -13.612
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: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -331.681077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.681077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.681077 (E_RNA)
where:
Base-Base interactions energy: -231.855
where: short stacking energy: -91.238
Base-Backbone interact. energy: -0.116
local terms energy: -99.709895
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -23.527
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: -23.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -270.196246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.196246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.196246 (E_RNA)
where:
Base-Base interactions energy: -187.113
where: short stacking energy: -76.863
Base-Backbone interact. energy: -1.199
local terms energy: -81.884581
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -221.316722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.316722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.316722 (E_RNA)
where:
Base-Base interactions energy: -138.028
where: short stacking energy: -62.590
Base-Backbone interact. energy: -0.542
local terms energy: -82.746865
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -248.160329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.160329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.160329 (E_RNA)
where:
Base-Base interactions energy: -170.087
where: short stacking energy: -71.626
Base-Backbone interact. energy: -0.540
local terms energy: -77.533517
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -15.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -188.571350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.571350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.571350 (E_RNA)
where:
Base-Base interactions energy: -122.381
where: short stacking energy: -54.968
Base-Backbone interact. energy: -0.461
local terms energy: -65.729885
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -99.284100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.284100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.284100 (E_RNA)
where:
Base-Base interactions energy: -39.062
where: short stacking energy: -39.062
Base-Backbone interact. energy: -0.150
local terms energy: -60.072669
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -362.403763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.403763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.403763 (E_RNA)
where:
Base-Base interactions energy: -259.751
where: short stacking energy: -82.902
Base-Backbone interact. energy: -0.280
local terms energy: -102.372066
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -23.466
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: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -350.756857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.756857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.756857 (E_RNA)
where:
Base-Base interactions energy: -244.949
where: short stacking energy: -88.916
Base-Backbone interact. energy: -0.119
local terms energy: -105.689067
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -24.043
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: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -339.613816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.613816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.613816 (E_RNA)
where:
Base-Base interactions energy: -240.330
where: short stacking energy: -93.506
Base-Backbone interact. energy: -0.005
local terms energy: -99.278432
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -27.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -339.757748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.757748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.757748 (E_RNA)
where:
Base-Base interactions energy: -239.293
where: short stacking energy: -87.478
Base-Backbone interact. energy: -0.769
local terms energy: -99.695848
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -24.443
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: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -316.963004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.963004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.963004 (E_RNA)
where:
Base-Base interactions energy: -223.917
where: short stacking energy: -91.349
Base-Backbone interact. energy: -1.069
local terms energy: -91.977450
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -277.196694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.196694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.196694 (E_RNA)
where:
Base-Base interactions energy: -196.549
where: short stacking energy: -81.458
Base-Backbone interact. energy: -0.571
local terms energy: -80.077298
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -19.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -211.261527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.261527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.261527 (E_RNA)
where:
Base-Base interactions energy: -143.096
where: short stacking energy: -69.816
Base-Backbone interact. energy: 1.541
local terms energy: -69.705774
where:
bonds (distance) C4'-P energy: -8.391
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -180.053892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.053892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.053892 (E_RNA)
where:
Base-Base interactions energy: -111.332
where: short stacking energy: -45.288
Base-Backbone interact. energy: 0.417
local terms energy: -69.138670
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -5.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -198.714300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.714300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.714300 (E_RNA)
where:
Base-Base interactions energy: -132.946
where: short stacking energy: -55.674
Base-Backbone interact. energy: -0.853
local terms energy: -64.915315
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -6.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -101.530636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.530636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.530636 (E_RNA)
where:
Base-Base interactions energy: -33.026
where: short stacking energy: -33.026
Base-Backbone interact. energy: 0.098
local terms energy: -68.602940
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -11.681
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: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -370.401856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.401856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.401856 (E_RNA)
where:
Base-Base interactions energy: -269.162
where: short stacking energy: -96.629
Base-Backbone interact. energy: -0.219
local terms energy: -101.021051
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -26.244
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -22.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -357.985745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.985745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.985745 (E_RNA)
where:
Base-Base interactions energy: -258.584
where: short stacking energy: -99.203
Base-Backbone interact. energy: -0.574
local terms energy: -98.827529
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -22.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -341.534292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.534292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.534292 (E_RNA)
where:
Base-Base interactions energy: -240.846
where: short stacking energy: -104.462
Base-Backbone interact. energy: -0.058
local terms energy: -100.629746
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -29.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -348.267397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.267397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.267397 (E_RNA)
where:
Base-Base interactions energy: -245.454
where: short stacking energy: -97.977
Base-Backbone interact. energy: -0.094
local terms energy: -102.719799
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -24.331
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -22.156
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: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -321.295375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.295375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.295375 (E_RNA)
where:
Base-Base interactions energy: -228.702
where: short stacking energy: -92.836
Base-Backbone interact. energy: 0.894
local terms energy: -93.487261
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -17.077
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: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -283.004731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.004731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.004731 (E_RNA)
where:
Base-Base interactions energy: -183.477
where: short stacking energy: -90.455
Base-Backbone interact. energy: -0.699
local terms energy: -98.828664
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -28.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -193.363959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.363959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.363959 (E_RNA)
where:
Base-Base interactions energy: -111.146
where: short stacking energy: -64.997
Base-Backbone interact. energy: 0.273
local terms energy: -82.490386
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -12.760
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: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -200.369004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.369004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.369004 (E_RNA)
where:
Base-Base interactions energy: -125.259
where: short stacking energy: -62.082
Base-Backbone interact. energy: -0.324
local terms energy: -74.786190
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -173.172799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.172799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.172799 (E_RNA)
where:
Base-Base interactions energy: -115.785
where: short stacking energy: -62.298
Base-Backbone interact. energy: -0.114
local terms energy: -57.273695
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -6.947
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -10.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -114.246696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.246696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.246696 (E_RNA)
where:
Base-Base interactions energy: -45.919
where: short stacking energy: -32.304
Base-Backbone interact. energy: -0.819
local terms energy: -67.509047
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -361.181649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.181649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.181649 (E_RNA)
where:
Base-Base interactions energy: -264.288
where: short stacking energy: -98.135
Base-Backbone interact. energy: 0.746
local terms energy: -97.639189
where:
bonds (distance) C4'-P energy: -20.326
bonds (distance) P-C4' energy: -22.731
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -20.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -348.642184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.642184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.642184 (E_RNA)
where:
Base-Base interactions energy: -252.136
where: short stacking energy: -93.242
Base-Backbone interact. energy: -0.507
local terms energy: -95.999927
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -28.050
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: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -342.900077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.900077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.900077 (E_RNA)
where:
Base-Base interactions energy: -241.905
where: short stacking energy: -103.236
Base-Backbone interact. energy: -0.004
local terms energy: -100.990921
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -23.807
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -24.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -321.445430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.445430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.445430 (E_RNA)
where:
Base-Base interactions energy: -226.854
where: short stacking energy: -99.169
Base-Backbone interact. energy: -0.585
local terms energy: -94.006320
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -21.778
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -27.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -334.838423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.838423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.838423 (E_RNA)
where:
Base-Base interactions energy: -244.662
where: short stacking energy: -92.701
Base-Backbone interact. energy: -0.115
local terms energy: -90.061457
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -274.571458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.571458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.571458 (E_RNA)
where:
Base-Base interactions energy: -179.612
where: short stacking energy: -80.689
Base-Backbone interact. energy: -0.570
local terms energy: -94.389456
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -24.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -185.202415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.202415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.202415 (E_RNA)
where:
Base-Base interactions energy: -118.553
where: short stacking energy: -66.055
Base-Backbone interact. energy: 0.014
local terms energy: -66.663699
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -10.903
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: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -203.564144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.564144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.564144 (E_RNA)
where:
Base-Base interactions energy: -118.074
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.288
local terms energy: -85.202799
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -9.873
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: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -172.564231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.564231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.564231 (E_RNA)
where:
Base-Base interactions energy: -101.485
where: short stacking energy: -60.971
Base-Backbone interact. energy: -0.395
local terms energy: -70.683898
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -6.038
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: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -118.183029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.183029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.183029 (E_RNA)
where:
Base-Base interactions energy: -58.640
where: short stacking energy: -43.243
Base-Backbone interact. energy: 0.641
local terms energy: -60.183155
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -8.712
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: 366
Temperature: 0.900000
Total energy: -353.828843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.828843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.828843 (E_RNA)
where:
Base-Base interactions energy: -252.317
where: short stacking energy: -97.396
Base-Backbone interact. energy: -0.541
local terms energy: -100.970249
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -25.319
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: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -345.119898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.119898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.119898 (E_RNA)
where:
Base-Base interactions energy: -241.211
where: short stacking energy: -93.194
Base-Backbone interact. energy: -0.541
local terms energy: -103.367648
where:
bonds (distance) C4'-P energy: -21.155
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -24.169
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: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -352.246741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.246741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.246741 (E_RNA)
where:
Base-Base interactions energy: -243.564
where: short stacking energy: -92.986
Base-Backbone interact. energy: -0.199
local terms energy: -108.484127
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -25.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -311.375811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.375811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.375811 (E_RNA)
where:
Base-Base interactions energy: -220.344
where: short stacking energy: -91.886
Base-Backbone interact. energy: -0.046
local terms energy: -90.985187
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -353.150295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.150295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.150295 (E_RNA)
where:
Base-Base interactions energy: -250.988
where: short stacking energy: -92.970
Base-Backbone interact. energy: -0.411
local terms energy: -101.751348
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -19.970
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: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -254.343454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.343454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.343454 (E_RNA)
where:
Base-Base interactions energy: -161.495
where: short stacking energy: -70.127
Base-Backbone interact. energy: -0.089
local terms energy: -92.759034
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -16.356
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: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -233.568489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.568489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.568489 (E_RNA)
where:
Base-Base interactions energy: -153.314
where: short stacking energy: -66.825
Base-Backbone interact. energy: -0.449
local terms energy: -79.806216
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -13.832
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: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -192.481737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.481737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.481737 (E_RNA)
where:
Base-Base interactions energy: -109.838
where: short stacking energy: -61.426
Base-Backbone interact. energy: -0.398
local terms energy: -82.245098
where:
bonds (distance) C4'-P energy: -17.603
bonds (distance) P-C4' energy: -23.635
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -7.860
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: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -155.280409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.280409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.280409 (E_RNA)
where:
Base-Base interactions energy: -96.596
where: short stacking energy: -45.717
Base-Backbone interact. energy: -0.583
local terms energy: -58.100722
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: 1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -115.295899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.295899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.295899 (E_RNA)
where:
Base-Base interactions energy: -52.442
where: short stacking energy: -44.471
Base-Backbone interact. energy: -0.757
local terms energy: -62.096844
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -9.186
flat angles P-C4'-P energy: -12.391
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: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -355.577321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.577321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.577321 (E_RNA)
where:
Base-Base interactions energy: -247.707
where: short stacking energy: -94.609
Base-Backbone interact. energy: -0.499
local terms energy: -107.371055
where:
bonds (distance) C4'-P energy: -23.647
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -349.729510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.729510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.729510 (E_RNA)
where:
Base-Base interactions energy: -245.718
where: short stacking energy: -86.009
Base-Backbone interact. energy: -0.322
local terms energy: -103.689648
where:
bonds (distance) C4'-P energy: -21.610
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -348.602711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.602711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.602711 (E_RNA)
where:
Base-Base interactions energy: -252.898
where: short stacking energy: -100.948
Base-Backbone interact. energy: -0.982
local terms energy: -94.722916
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -21.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -333.331959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.331959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.331959 (E_RNA)
where:
Base-Base interactions energy: -240.722
where: short stacking energy: -86.859
Base-Backbone interact. energy: -0.207
local terms energy: -92.402307
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -23.865
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -22.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -323.350691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.350691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.350691 (E_RNA)
where:
Base-Base interactions energy: -227.613
where: short stacking energy: -91.722
Base-Backbone interact. energy: -0.004
local terms energy: -95.734406
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -24.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -246.804722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.804722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.804722 (E_RNA)
where:
Base-Base interactions energy: -160.038
where: short stacking energy: -75.515
Base-Backbone interact. energy: 0.431
local terms energy: -87.196842
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -8.804
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: 7, replica: 7
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -235.915482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.915482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.915482 (E_RNA)
where:
Base-Base interactions energy: -155.420
where: short stacking energy: -66.272
Base-Backbone interact. energy: -0.150
local terms energy: -80.345352
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -162.971280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.971280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.971280 (E_RNA)
where:
Base-Base interactions energy: -93.218
where: short stacking energy: -53.138
Base-Backbone interact. energy: -0.479
local terms energy: -69.274236
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -178.437438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.437438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.437438 (E_RNA)
where:
Base-Base interactions energy: -122.433
where: short stacking energy: -56.476
Base-Backbone interact. energy: -0.843
local terms energy: -55.161356
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -101.753761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.753761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.753761 (E_RNA)
where:
Base-Base interactions energy: -35.544
where: short stacking energy: -33.982
Base-Backbone interact. energy: -0.237
local terms energy: -65.972124
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: 1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -362.627641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.627641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.627641 (E_RNA)
where:
Base-Base interactions energy: -255.517
where: short stacking energy: -92.087
Base-Backbone interact. energy: -0.153
local terms energy: -106.957649
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -24.946
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -24.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -350.573641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.573641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.573641 (E_RNA)
where:
Base-Base interactions energy: -251.141
where: short stacking energy: -94.634
Base-Backbone interact. energy: -0.027
local terms energy: -99.404811
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -25.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -326.795999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.795999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.795999 (E_RNA)
where:
Base-Base interactions energy: -227.402
where: short stacking energy: -99.572
Base-Backbone interact. energy: -0.036
local terms energy: -99.357864
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -25.025
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: 4, replica: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -342.719831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.719831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.719831 (E_RNA)
where:
Base-Base interactions energy: -235.690
where: short stacking energy: -104.355
Base-Backbone interact. energy: -0.183
local terms energy: -106.846628
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -22.664
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -30.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -308.246780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.246780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.246780 (E_RNA)
where:
Base-Base interactions energy: -210.181
where: short stacking energy: -85.892
Base-Backbone interact. energy: -1.594
local terms energy: -96.471207
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -25.348
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -13.493
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: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -249.651514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.651514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.651514 (E_RNA)
where:
Base-Base interactions energy: -163.830
where: short stacking energy: -72.825
Base-Backbone interact. energy: -0.257
local terms energy: -85.564624
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -224.873495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.873495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.873495 (E_RNA)
where:
Base-Base interactions energy: -147.335
where: short stacking energy: -66.792
Base-Backbone interact. energy: -0.110
local terms energy: -77.428307
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -14.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -175.497218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.497218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.497218 (E_RNA)
where:
Base-Base interactions energy: -101.666
where: short stacking energy: -56.210
Base-Backbone interact. energy: -0.208
local terms energy: -73.623263
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -169.738273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.738273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.738273 (E_RNA)
where:
Base-Base interactions energy: -105.892
where: short stacking energy: -44.347
Base-Backbone interact. energy: -0.326
local terms energy: -63.520669
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -105.001518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.001518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.001518 (E_RNA)
where:
Base-Base interactions energy: -43.911
where: short stacking energy: -43.911
Base-Backbone interact. energy: -0.111
local terms energy: -60.978855
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -4.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -361.310291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.310291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.310291 (E_RNA)
where:
Base-Base interactions energy: -258.427
where: short stacking energy: -93.202
Base-Backbone interact. energy: 0.037
local terms energy: -102.920151
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -21.137
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: 2, replica: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -342.307255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.307255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.307255 (E_RNA)
where:
Base-Base interactions energy: -241.589
where: short stacking energy: -102.055
Base-Backbone interact. energy: -0.314
local terms energy: -100.403862
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -27.605
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: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -353.124432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.124432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.124432 (E_RNA)
where:
Base-Base interactions energy: -255.956
where: short stacking energy: -98.692
Base-Backbone interact. energy: -0.036
local terms energy: -97.132331
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -21.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -330.983404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.983404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.983404 (E_RNA)
where:
Base-Base interactions energy: -232.846
where: short stacking energy: -95.229
Base-Backbone interact. energy: -0.129
local terms energy: -98.008304
where:
bonds (distance) C4'-P energy: -20.206
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -298.249612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.249612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.249612 (E_RNA)
where:
Base-Base interactions energy: -203.987
where: short stacking energy: -78.968
Base-Backbone interact. energy: 0.163
local terms energy: -94.425650
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -23.413
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: 369
Temperature: 1.150000
Total energy: -238.938928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.938928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.938928 (E_RNA)
where:
Base-Base interactions energy: -147.144
where: short stacking energy: -88.408
Base-Backbone interact. energy: -0.157
local terms energy: -91.638489
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -12.613
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: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -229.153207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.153207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.153207 (E_RNA)
where:
Base-Base interactions energy: -148.401
where: short stacking energy: -70.055
Base-Backbone interact. energy: 0.004
local terms energy: -80.756081
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -223.247908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.247908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.247908 (E_RNA)
where:
Base-Base interactions energy: -150.210
where: short stacking energy: -58.926
Base-Backbone interact. energy: -0.651
local terms energy: -72.386781
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -6.953
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -17.659
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: 369
Temperature: 1.300000
Total energy: -173.662095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.662095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.662095 (E_RNA)
where:
Base-Base interactions energy: -101.560
where: short stacking energy: -59.002
Base-Backbone interact. energy: -0.111
local terms energy: -71.990960
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -11.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -108.280612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.280612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.280612 (E_RNA)
where:
Base-Base interactions energy: -45.004
where: short stacking energy: -30.081
Base-Backbone interact. energy: -0.354
local terms energy: -62.922523
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -354.013069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.013069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.013069 (E_RNA)
where:
Base-Base interactions energy: -256.395
where: short stacking energy: -105.034
Base-Backbone interact. energy: -0.007
local terms energy: -97.610738
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -27.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -351.000565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.000565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.000565 (E_RNA)
where:
Base-Base interactions energy: -257.545
where: short stacking energy: -93.293
Base-Backbone interact. energy: -1.077
local terms energy: -92.379088
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -16.317
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: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -346.409110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.409110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.409110 (E_RNA)
where:
Base-Base interactions energy: -243.951
where: short stacking energy: -94.618
Base-Backbone interact. energy: -0.566
local terms energy: -101.891757
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -24.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -338.654069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.654069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.654069 (E_RNA)
where:
Base-Base interactions energy: -243.438
where: short stacking energy: -91.036
Base-Backbone interact. energy: 0.111
local terms energy: -95.326622
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -21.767
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -23.704
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: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -305.612723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.612723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.612723 (E_RNA)
where:
Base-Base interactions energy: -211.235
where: short stacking energy: -81.552
Base-Backbone interact. energy: -1.081
local terms energy: -93.296112
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -23.026
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -270.920064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.920064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.920064 (E_RNA)
where:
Base-Base interactions energy: -177.903
where: short stacking energy: -80.257
Base-Backbone interact. energy: -0.007
local terms energy: -93.010158
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -233.560106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.560106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.560106 (E_RNA)
where:
Base-Base interactions energy: -147.667
where: short stacking energy: -80.511
Base-Backbone interact. energy: -0.530
local terms energy: -85.363516
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -186.513870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.513870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.513870 (E_RNA)
where:
Base-Base interactions energy: -118.252
where: short stacking energy: -56.490
Base-Backbone interact. energy: -0.076
local terms energy: -68.186837
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -22.699
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -166.092587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.092587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.092587 (E_RNA)
where:
Base-Base interactions energy: -96.955
where: short stacking energy: -55.169
Base-Backbone interact. energy: -0.271
local terms energy: -68.866600
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -118.554082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.554082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.554082 (E_RNA)
where:
Base-Base interactions energy: -52.812
where: short stacking energy: -44.063
Base-Backbone interact. energy: -0.452
local terms energy: -65.290720
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -5.641
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: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -358.109512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.109512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.109512 (E_RNA)
where:
Base-Base interactions energy: -251.328
where: short stacking energy: -100.698
Base-Backbone interact. energy: -0.069
local terms energy: -106.712303
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -26.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -344.068838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.068838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.068838 (E_RNA)
where:
Base-Base interactions energy: -243.511
where: short stacking energy: -86.891
Base-Backbone interact. energy: -0.292
local terms energy: -100.265863
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -22.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -345.889392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.889392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.889392 (E_RNA)
where:
Base-Base interactions energy: -248.714
where: short stacking energy: -93.756
Base-Backbone interact. energy: -0.073
local terms energy: -97.101858
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -319.049031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.049031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.049031 (E_RNA)
where:
Base-Base interactions energy: -221.012
where: short stacking energy: -91.977
Base-Backbone interact. energy: -0.091
local terms energy: -97.945507
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -22.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -329.531309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.531309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.531309 (E_RNA)
where:
Base-Base interactions energy: -233.979
where: short stacking energy: -103.864
Base-Backbone interact. energy: -0.739
local terms energy: -94.813210
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -25.493
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: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -291.126372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.126372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.126372 (E_RNA)
where:
Base-Base interactions energy: -211.570
where: short stacking energy: -89.111
Base-Backbone interact. energy: -0.079
local terms energy: -79.477454
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -227.358539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.358539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.358539 (E_RNA)
where:
Base-Base interactions energy: -142.783
where: short stacking energy: -70.026
Base-Backbone interact. energy: -0.125
local terms energy: -84.450484
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -215.946142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.946142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.946142 (E_RNA)
where:
Base-Base interactions energy: -149.632
where: short stacking energy: -73.517
Base-Backbone interact. energy: 0.352
local terms energy: -66.666534
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -13.204
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: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -150.006082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.006082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.006082 (E_RNA)
where:
Base-Base interactions energy: -98.841
where: short stacking energy: -48.058
Base-Backbone interact. energy: -0.150
local terms energy: -51.014358
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: 2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -118.648304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.648304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.648304 (E_RNA)
where:
Base-Base interactions energy: -58.235
where: short stacking energy: -36.932
Base-Backbone interact. energy: -0.121
local terms energy: -60.293078
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: 0.042
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -363.807036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.807036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.807036 (E_RNA)
where:
Base-Base interactions energy: -261.370
where: short stacking energy: -103.270
Base-Backbone interact. energy: -0.015
local terms energy: -102.421907
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -26.201
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: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -352.194294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.194294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.194294 (E_RNA)
where:
Base-Base interactions energy: -241.856
where: short stacking energy: -87.611
Base-Backbone interact. energy: -0.152
local terms energy: -110.185914
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -24.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -342.856354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.856354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.856354 (E_RNA)
where:
Base-Base interactions energy: -244.642
where: short stacking energy: -91.300
Base-Backbone interact. energy: -0.581
local terms energy: -97.632882
where:
bonds (distance) C4'-P energy: -20.415
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -24.390
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: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -305.030033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.030033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.030033 (E_RNA)
where:
Base-Base interactions energy: -213.467
where: short stacking energy: -91.930
Base-Backbone interact. energy: 0.355
local terms energy: -91.917247
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -23.829
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -19.245
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: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -306.886885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.886885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.886885 (E_RNA)
where:
Base-Base interactions energy: -223.027
where: short stacking energy: -93.124
Base-Backbone interact. energy: -0.718
local terms energy: -83.141494
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -21.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -325.986174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.986174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.986174 (E_RNA)
where:
Base-Base interactions energy: -230.170
where: short stacking energy: -91.319
Base-Backbone interact. energy: -0.327
local terms energy: -95.488932
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -26.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -243.878595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.878595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.878595 (E_RNA)
where:
Base-Base interactions energy: -169.859
where: short stacking energy: -74.048
Base-Backbone interact. energy: -0.391
local terms energy: -73.628579
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -17.149
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: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -215.178379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.178379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.178379 (E_RNA)
where:
Base-Base interactions energy: -145.017
where: short stacking energy: -66.507
Base-Backbone interact. energy: -0.261
local terms energy: -69.899888
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -113.358558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.358558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.358558 (E_RNA)
where:
Base-Base interactions energy: -57.262
where: short stacking energy: -36.020
Base-Backbone interact. energy: -0.380
local terms energy: -55.717361
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -7.021
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: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -109.765566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.765566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.765566 (E_RNA)
where:
Base-Base interactions energy: -46.624
where: short stacking energy: -46.624
Base-Backbone interact. energy: -0.068
local terms energy: -63.073937
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -364.572830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.572830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.572830 (E_RNA)
where:
Base-Base interactions energy: -262.302
where: short stacking energy: -113.690
Base-Backbone interact. energy: -0.064
local terms energy: -102.206999
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -26.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -348.405440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.405440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.405440 (E_RNA)
where:
Base-Base interactions energy: -249.734
where: short stacking energy: -91.047
Base-Backbone interact. energy: -0.187
local terms energy: -98.484087
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -23.917
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -22.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -342.706930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.706930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.706930 (E_RNA)
where:
Base-Base interactions energy: -241.324
where: short stacking energy: -92.435
Base-Backbone interact. energy: -0.113
local terms energy: -101.270129
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -24.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -307.149138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.149138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.149138 (E_RNA)
where:
Base-Base interactions energy: -210.002
where: short stacking energy: -86.348
Base-Backbone interact. energy: -0.379
local terms energy: -96.768686
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -21.651
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: 373
Temperature: 1.100000
Total energy: -324.145483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.145483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.145483 (E_RNA)
where:
Base-Base interactions energy: -236.461
where: short stacking energy: -99.679
Base-Backbone interact. energy: -0.236
local terms energy: -87.448746
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -24.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -325.217838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.217838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.217838 (E_RNA)
where:
Base-Base interactions energy: -242.069
where: short stacking energy: -90.235
Base-Backbone interact. energy: -0.136
local terms energy: -83.013325
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -230.629919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.629919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.629919 (E_RNA)
where:
Base-Base interactions energy: -139.820
where: short stacking energy: -67.612
Base-Backbone interact. energy: 2.134
local terms energy: -92.944186
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -19.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -215.423654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.423654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.423654 (E_RNA)
where:
Base-Base interactions energy: -144.023
where: short stacking energy: -62.279
Base-Backbone interact. energy: 4.701
local terms energy: -76.101123
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -8.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -104.061627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.061627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.061627 (E_RNA)
where:
Base-Base interactions energy: -35.345
where: short stacking energy: -24.679
Base-Backbone interact. energy: -0.200
local terms energy: -68.517052
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -107.869827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.869827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.869827 (E_RNA)
where:
Base-Base interactions energy: -39.785
where: short stacking energy: -30.931
Base-Backbone interact. energy: -0.046
local terms energy: -68.039039
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: 0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -356.180899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.180899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.180899 (E_RNA)
where:
Base-Base interactions energy: -255.313
where: short stacking energy: -101.102
Base-Backbone interact. energy: 0.192
local terms energy: -101.059864
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -23.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -348.092422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.092422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.092422 (E_RNA)
where:
Base-Base interactions energy: -246.158
where: short stacking energy: -104.170
Base-Backbone interact. energy: -0.508
local terms energy: -101.427190
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -25.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -337.285062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.285062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.285062 (E_RNA)
where:
Base-Base interactions energy: -242.059
where: short stacking energy: -90.451
Base-Backbone interact. energy: -0.242
local terms energy: -94.983864
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -23.381
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: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -317.628292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.628292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.628292 (E_RNA)
where:
Base-Base interactions energy: -219.036
where: short stacking energy: -88.254
Base-Backbone interact. energy: -0.106
local terms energy: -98.485553
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -23.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -342.397308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.397308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.397308 (E_RNA)
where:
Base-Base interactions energy: -238.343
where: short stacking energy: -85.434
Base-Backbone interact. energy: -0.164
local terms energy: -103.890322
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -15.554
tors. eta vs tors. theta energy: -23.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -323.860692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.860692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.860692 (E_RNA)
where:
Base-Base interactions energy: -237.769
where: short stacking energy: -85.494
Base-Backbone interact. energy: -0.447
local terms energy: -85.644793
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -18.465
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: 374
Temperature: 1.200000
Total energy: -230.893862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.893862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.893862 (E_RNA)
where:
Base-Base interactions energy: -151.823
where: short stacking energy: -66.872
Base-Backbone interact. energy: -0.043
local terms energy: -79.027157
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -13.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -154.699291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.699291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.699291 (E_RNA)
where:
Base-Base interactions energy: -84.210
where: short stacking energy: -48.163
Base-Backbone interact. energy: -0.637
local terms energy: -69.852240
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -104.519917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.519917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.519917 (E_RNA)
where:
Base-Base interactions energy: -42.452
where: short stacking energy: -42.452
Base-Backbone interact. energy: -0.195
local terms energy: -61.872841
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -106.852612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.852612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.852612 (E_RNA)
where:
Base-Base interactions energy: -44.041
where: short stacking energy: -36.708
Base-Backbone interact. energy: -0.179
local terms energy: -62.633358
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -350.670897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.670897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.670897 (E_RNA)
where:
Base-Base interactions energy: -255.730
where: short stacking energy: -95.103
Base-Backbone interact. energy: -0.877
local terms energy: -94.063505
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -26.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -342.178673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.178673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.178673 (E_RNA)
where:
Base-Base interactions energy: -241.884
where: short stacking energy: -97.979
Base-Backbone interact. energy: -0.007
local terms energy: -100.287234
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -23.590
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -28.218
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: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -340.934841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.934841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.934841 (E_RNA)
where:
Base-Base interactions energy: -246.254
where: short stacking energy: -100.957
Base-Backbone interact. energy: -0.005
local terms energy: -94.675802
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -25.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -349.080006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.080006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.080006 (E_RNA)
where:
Base-Base interactions energy: -243.102
where: short stacking energy: -96.090
Base-Backbone interact. energy: -0.096
local terms energy: -105.882080
where:
bonds (distance) C4'-P energy: -20.106
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -22.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -305.520089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.520089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.520089 (E_RNA)
where:
Base-Base interactions energy: -210.680
where: short stacking energy: -92.878
Base-Backbone interact. energy: -0.650
local terms energy: -94.189998
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -21.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -312.421281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.421281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.421281 (E_RNA)
where:
Base-Base interactions energy: -223.562
where: short stacking energy: -87.624
Base-Backbone interact. energy: -0.467
local terms energy: -88.392949
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -253.428561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.428561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.428561 (E_RNA)
where:
Base-Base interactions energy: -160.272
where: short stacking energy: -90.345
Base-Backbone interact. energy: -0.305
local terms energy: -92.851480
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -116.929998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.929998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.929998 (E_RNA)
where:
Base-Base interactions energy: -37.385
where: short stacking energy: -37.385
Base-Backbone interact. energy: -0.087
local terms energy: -79.457384
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -103.919873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.919873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.919873 (E_RNA)
where:
Base-Base interactions energy: -38.705
where: short stacking energy: -26.096
Base-Backbone interact. energy: -0.531
local terms energy: -64.684134
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -14.557
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: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -98.140704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.140704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.140704 (E_RNA)
where:
Base-Base interactions energy: -43.754
where: short stacking energy: -34.524
Base-Backbone interact. energy: 2.426
local terms energy: -56.813408
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -367.047062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.047062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.047062 (E_RNA)
where:
Base-Base interactions energy: -267.038
where: short stacking energy: -101.293
Base-Backbone interact. energy: -0.581
local terms energy: -99.427288
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -23.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -345.529077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.529077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.529077 (E_RNA)
where:
Base-Base interactions energy: -239.944
where: short stacking energy: -97.030
Base-Backbone interact. energy: -0.045
local terms energy: -105.540050
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -26.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -353.396151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.396151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.396151 (E_RNA)
where:
Base-Base interactions energy: -254.691
where: short stacking energy: -94.809
Base-Backbone interact. energy: -0.364
local terms energy: -98.341325
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -16.241
tors. eta vs tors. theta energy: -25.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -339.134882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.134882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.134882 (E_RNA)
where:
Base-Base interactions energy: -234.076
where: short stacking energy: -100.898
Base-Backbone interact. energy: -0.002
local terms energy: -105.056692
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -22.436
flat angles P-C4'-P energy: -17.686
tors. eta vs tors. theta energy: -28.673
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: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -312.827211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.827211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.827211 (E_RNA)
where:
Base-Base interactions energy: -217.598
where: short stacking energy: -97.229
Base-Backbone interact. energy: -0.142
local terms energy: -95.087154
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -23.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -317.748426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.748426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.748426 (E_RNA)
where:
Base-Base interactions energy: -231.426
where: short stacking energy: -95.507
Base-Backbone interact. energy: -0.201
local terms energy: -86.121439
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -23.261
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: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -238.037898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.037898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.037898 (E_RNA)
where:
Base-Base interactions energy: -154.893
where: short stacking energy: -72.799
Base-Backbone interact. energy: -1.019
local terms energy: -82.126105
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -8.439
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: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -197.352881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.352881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.352881 (E_RNA)
where:
Base-Base interactions energy: -122.830
where: short stacking energy: -57.810
Base-Backbone interact. energy: -0.159
local terms energy: -74.363761
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -109.929791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.929791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.929791 (E_RNA)
where:
Base-Base interactions energy: -48.015
where: short stacking energy: -46.410
Base-Backbone interact. energy: -0.270
local terms energy: -61.644214
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: 0.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -114.762851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.762851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.762851 (E_RNA)
where:
Base-Base interactions energy: -42.601
where: short stacking energy: -41.297
Base-Backbone interact. energy: -1.282
local terms energy: -70.880214
where:
bonds (distance) C4'-P energy: -20.665
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -7.917
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: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -369.372016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.372016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.372016 (E_RNA)
where:
Base-Base interactions energy: -265.273
where: short stacking energy: -97.579
Base-Backbone interact. energy: -0.175
local terms energy: -103.923764
where:
bonds (distance) C4'-P energy: -18.660
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -26.016
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -24.028
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: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -358.180655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.180655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.180655 (E_RNA)
where:
Base-Base interactions energy: -264.152
where: short stacking energy: -100.031
Base-Backbone interact. energy: 0.760
local terms energy: -94.789106
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -336.800288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.800288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.800288 (E_RNA)
where:
Base-Base interactions energy: -233.880
where: short stacking energy: -100.424
Base-Backbone interact. energy: -0.733
local terms energy: -102.188048
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -27.030
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: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -332.221418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.221418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.221418 (E_RNA)
where:
Base-Base interactions energy: -231.251
where: short stacking energy: -97.546
Base-Backbone interact. energy: 0.060
local terms energy: -101.030758
where:
bonds (distance) C4'-P energy: -17.205
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -28.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -300.941262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.941262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.941262 (E_RNA)
where:
Base-Base interactions energy: -206.864
where: short stacking energy: -86.939
Base-Backbone interact. energy: -0.142
local terms energy: -93.934883
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -318.634218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.634218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.634218 (E_RNA)
where:
Base-Base interactions energy: -227.908
where: short stacking energy: -103.252
Base-Backbone interact. energy: -0.125
local terms energy: -90.601154
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -26.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -227.917680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.917680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.917680 (E_RNA)
where:
Base-Base interactions energy: -143.711
where: short stacking energy: -77.381
Base-Backbone interact. energy: -0.031
local terms energy: -84.176441
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -195.367561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.367561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.367561 (E_RNA)
where:
Base-Base interactions energy: -119.127
where: short stacking energy: -59.673
Base-Backbone interact. energy: 1.304
local terms energy: -77.544954
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -9.849
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: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -97.743017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.743017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.743017 (E_RNA)
where:
Base-Base interactions energy: -33.438
where: short stacking energy: -31.169
Base-Backbone interact. energy: 0.000
local terms energy: -64.305117
where:
bonds (distance) C4'-P energy: -22.426
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: 1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -99.887640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.887640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.887640 (E_RNA)
where:
Base-Base interactions energy: -34.582
where: short stacking energy: -31.103
Base-Backbone interact. energy: 0.225
local terms energy: -65.530397
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -1.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -357.170345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.170345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.170345 (E_RNA)
where:
Base-Base interactions energy: -259.323
where: short stacking energy: -91.745
Base-Backbone interact. energy: -0.360
local terms energy: -97.487752
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -360.951144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.951144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.951144 (E_RNA)
where:
Base-Base interactions energy: -255.570
where: short stacking energy: -95.268
Base-Backbone interact. energy: -0.118
local terms energy: -105.263121
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -24.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -339.985007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.985007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.985007 (E_RNA)
where:
Base-Base interactions energy: -239.903
where: short stacking energy: -102.935
Base-Backbone interact. energy: -0.013
local terms energy: -100.069053
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -27.312
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: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -324.059305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.059305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.059305 (E_RNA)
where:
Base-Base interactions energy: -225.098
where: short stacking energy: -92.942
Base-Backbone interact. energy: -0.191
local terms energy: -98.769355
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: -22.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -339.719499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.719499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.719499 (E_RNA)
where:
Base-Base interactions energy: -229.137
where: short stacking energy: -97.927
Base-Backbone interact. energy: -0.045
local terms energy: -110.537297
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -22.709
flat angles C4'-P-C4' energy: -24.488
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -26.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -295.537799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.537799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.537799 (E_RNA)
where:
Base-Base interactions energy: -195.522
where: short stacking energy: -79.034
Base-Backbone interact. energy: -0.665
local terms energy: -99.350306
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -21.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -225.447343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.447343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.447343 (E_RNA)
where:
Base-Base interactions energy: -144.979
where: short stacking energy: -69.649
Base-Backbone interact. energy: -0.160
local terms energy: -80.308715
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -11.613
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: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -183.891396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.891396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.891396 (E_RNA)
where:
Base-Base interactions energy: -108.499
where: short stacking energy: -52.705
Base-Backbone interact. energy: 0.387
local terms energy: -75.779139
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -13.000
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: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -115.230642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.230642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.230642 (E_RNA)
where:
Base-Base interactions energy: -47.027
where: short stacking energy: -36.423
Base-Backbone interact. energy: -0.227
local terms energy: -67.976327
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -129.286992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.286992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.286992 (E_RNA)
where:
Base-Base interactions energy: -67.957
where: short stacking energy: -38.462
Base-Backbone interact. energy: 0.261
local terms energy: -61.591107
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -6.326
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: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -363.311191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.311191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.311191 (E_RNA)
where:
Base-Base interactions energy: -261.773
where: short stacking energy: -97.376
Base-Backbone interact. energy: -0.417
local terms energy: -101.120969
where:
bonds (distance) C4'-P energy: -23.586
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -348.729513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.729513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.729513 (E_RNA)
where:
Base-Base interactions energy: -246.042
where: short stacking energy: -102.966
Base-Backbone interact. energy: -0.009
local terms energy: -102.678811
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -27.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -348.209656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.209656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.209656 (E_RNA)
where:
Base-Base interactions energy: -251.708
where: short stacking energy: -96.494
Base-Backbone interact. energy: -0.189
local terms energy: -96.312203
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -24.696
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: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -337.885036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.885036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.885036 (E_RNA)
where:
Base-Base interactions energy: -239.562
where: short stacking energy: -94.484
Base-Backbone interact. energy: -0.112
local terms energy: -98.211515
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -22.758
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -23.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -330.740801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.740801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.740801 (E_RNA)
where:
Base-Base interactions energy: -236.378
where: short stacking energy: -97.932
Base-Backbone interact. energy: -0.076
local terms energy: -94.286742
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -24.354
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: 379
Temperature: 1.150000
Total energy: -317.745658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.745658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.745658 (E_RNA)
where:
Base-Base interactions energy: -215.535
where: short stacking energy: -97.034
Base-Backbone interact. energy: -0.800
local terms energy: -101.411147
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -24.195
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -25.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -201.851345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.851345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.851345 (E_RNA)
where:
Base-Base interactions energy: -126.447
where: short stacking energy: -53.887
Base-Backbone interact. energy: -0.337
local terms energy: -75.067299
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -211.468376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.468376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.468376 (E_RNA)
where:
Base-Base interactions energy: -126.645
where: short stacking energy: -68.190
Base-Backbone interact. energy: 1.811
local terms energy: -86.634076
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -23.832
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -15.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -107.969771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.969771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.969771 (E_RNA)
where:
Base-Base interactions energy: -37.517
where: short stacking energy: -35.475
Base-Backbone interact. energy: -0.535
local terms energy: -69.918116
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: 0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -104.669880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.669880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.669880 (E_RNA)
where:
Base-Base interactions energy: -46.701
where: short stacking energy: -42.130
Base-Backbone interact. energy: 1.508
local terms energy: -59.476593
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -345.448255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.448255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.448255 (E_RNA)
where:
Base-Base interactions energy: -245.317
where: short stacking energy: -102.909
Base-Backbone interact. energy: -0.376
local terms energy: -99.755933
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -25.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -349.702633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.702633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.702633 (E_RNA)
where:
Base-Base interactions energy: -251.861
where: short stacking energy: -95.153
Base-Backbone interact. energy: -0.247
local terms energy: -97.595089
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -24.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -342.635716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.635716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.635716 (E_RNA)
where:
Base-Base interactions energy: -243.619
where: short stacking energy: -90.626
Base-Backbone interact. energy: -0.800
local terms energy: -98.216135
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -24.108
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: 380
Temperature: 1.050000
Total energy: -330.495600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.495600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.495600 (E_RNA)
where:
Base-Base interactions energy: -226.744
where: short stacking energy: -92.320
Base-Backbone interact. energy: -0.224
local terms energy: -103.527542
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -23.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -336.643751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.643751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.643751 (E_RNA)
where:
Base-Base interactions energy: -241.937
where: short stacking energy: -86.401
Base-Backbone interact. energy: -0.363
local terms energy: -94.343663
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -310.586975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.586975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.586975 (E_RNA)
where:
Base-Base interactions energy: -218.034
where: short stacking energy: -94.241
Base-Backbone interact. energy: -0.040
local terms energy: -92.513377
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -21.946
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: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -200.725791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.725791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.725791 (E_RNA)
where:
Base-Base interactions energy: -124.134
where: short stacking energy: -59.643
Base-Backbone interact. energy: -0.357
local terms energy: -76.234907
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -10.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -212.374269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.374269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.374269 (E_RNA)
where:
Base-Base interactions energy: -137.124
where: short stacking energy: -76.175
Base-Backbone interact. energy: -0.074
local terms energy: -75.176127
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -109.302429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.302429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.302429 (E_RNA)
where:
Base-Base interactions energy: -45.486
where: short stacking energy: -45.486
Base-Backbone interact. energy: -0.093
local terms energy: -63.723797
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -4.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -98.469006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.469006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.469006 (E_RNA)
where:
Base-Base interactions energy: -39.296
where: short stacking energy: -39.296
Base-Backbone interact. energy: -0.710
local terms energy: -58.462950
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -6.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -352.745020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.745020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.745020 (E_RNA)
where:
Base-Base interactions energy: -252.976
where: short stacking energy: -107.524
Base-Backbone interact. energy: 2.071
local terms energy: -101.839312
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -350.728178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.728178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.728178 (E_RNA)
where:
Base-Base interactions energy: -249.684
where: short stacking energy: -98.300
Base-Backbone interact. energy: -0.094
local terms energy: -100.950884
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -14.318
tors. eta vs tors. theta energy: -27.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -346.922333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.922333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.922333 (E_RNA)
where:
Base-Base interactions energy: -253.571
where: short stacking energy: -98.975
Base-Backbone interact. energy: -0.094
local terms energy: -93.256953
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -24.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -333.339676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.339676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.339676 (E_RNA)
where:
Base-Base interactions energy: -236.164
where: short stacking energy: -92.303
Base-Backbone interact. energy: -0.175
local terms energy: -97.001239
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -24.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -327.139907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.139907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.139907 (E_RNA)
where:
Base-Base interactions energy: -232.912
where: short stacking energy: -96.848
Base-Backbone interact. energy: -0.079
local terms energy: -94.148802
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -20.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -315.186397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.186397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.186397 (E_RNA)
where:
Base-Base interactions energy: -216.190
where: short stacking energy: -104.843
Base-Backbone interact. energy: 0.788
local terms energy: -99.784154
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -25.498
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: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -203.650829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.650829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.650829 (E_RNA)
where:
Base-Base interactions energy: -130.299
where: short stacking energy: -57.566
Base-Backbone interact. energy: -0.532
local terms energy: -72.819790
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -207.365744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.365744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.365744 (E_RNA)
where:
Base-Base interactions energy: -132.960
where: short stacking energy: -65.173
Base-Backbone interact. energy: -0.433
local terms energy: -73.972947
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -11.795
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: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -108.547686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.547686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.547686 (E_RNA)
where:
Base-Base interactions energy: -49.565
where: short stacking energy: -38.043
Base-Backbone interact. energy: -0.423
local terms energy: -58.560446
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -13.857
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: 10, replica: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -98.956972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.956972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.956972 (E_RNA)
where:
Base-Base interactions energy: -31.303
where: short stacking energy: -26.897
Base-Backbone interact. energy: -0.099
local terms energy: -67.555057
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -352.700319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.700319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.700319 (E_RNA)
where:
Base-Base interactions energy: -252.077
where: short stacking energy: -95.846
Base-Backbone interact. energy: -0.474
local terms energy: -100.149474
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -25.492
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: 382
Temperature: 0.950000
Total energy: -365.161645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.161645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.161645 (E_RNA)
where:
Base-Base interactions energy: -257.138
where: short stacking energy: -112.911
Base-Backbone interact. energy: -0.233
local terms energy: -107.790525
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -29.765
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: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -340.526629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.526629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.526629 (E_RNA)
where:
Base-Base interactions energy: -240.211
where: short stacking energy: -88.529
Base-Backbone interact. energy: -0.266
local terms energy: -100.049073
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -17.187
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: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -335.127362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.127362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.127362 (E_RNA)
where:
Base-Base interactions energy: -242.262
where: short stacking energy: -90.309
Base-Backbone interact. energy: -0.353
local terms energy: -92.512572
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -24.177
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: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -322.897242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.897242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.897242 (E_RNA)
where:
Base-Base interactions energy: -232.965
where: short stacking energy: -93.809
Base-Backbone interact. energy: -1.692
local terms energy: -88.240195
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -23.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -318.541327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.541327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.541327 (E_RNA)
where:
Base-Base interactions energy: -227.477
where: short stacking energy: -92.120
Base-Backbone interact. energy: -0.086
local terms energy: -90.978377
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -23.234
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: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -214.732342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.732342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.732342 (E_RNA)
where:
Base-Base interactions energy: -128.866
where: short stacking energy: -55.998
Base-Backbone interact. energy: -0.700
local terms energy: -85.166228
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -16.384
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: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -209.995788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.995788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.995788 (E_RNA)
where:
Base-Base interactions energy: -136.805
where: short stacking energy: -65.001
Base-Backbone interact. energy: -0.117
local terms energy: -73.073787
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -20.779
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -131.219860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.219860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.219860 (E_RNA)
where:
Base-Base interactions energy: -63.891
where: short stacking energy: -47.506
Base-Backbone interact. energy: -0.248
local terms energy: -67.080592
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -103.720555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.720555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.720555 (E_RNA)
where:
Base-Base interactions energy: -45.622
where: short stacking energy: -31.441
Base-Backbone interact. energy: -0.245
local terms energy: -57.854382
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -10.720
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: 1, replica: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -359.339836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.339836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.339836 (E_RNA)
where:
Base-Base interactions energy: -248.240
where: short stacking energy: -99.153
Base-Backbone interact. energy: -0.109
local terms energy: -110.990636
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -18.606
tors. eta vs tors. theta energy: -26.819
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: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -348.154103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.154103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.154103 (E_RNA)
where:
Base-Base interactions energy: -252.924
where: short stacking energy: -99.492
Base-Backbone interact. energy: 0.017
local terms energy: -95.247635
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -19.870
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -17.504
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: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -343.776516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.776516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.776516 (E_RNA)
where:
Base-Base interactions energy: -236.949
where: short stacking energy: -103.859
Base-Backbone interact. energy: -0.059
local terms energy: -106.768528
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -20.987
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -30.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -341.941565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.941565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.941565 (E_RNA)
where:
Base-Base interactions energy: -244.657
where: short stacking energy: -93.562
Base-Backbone interact. energy: -0.114
local terms energy: -97.171244
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -21.791
flat angles P-C4'-P energy: -18.024
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -322.233319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.233319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.233319 (E_RNA)
where:
Base-Base interactions energy: -230.453
where: short stacking energy: -93.195
Base-Backbone interact. energy: -0.115
local terms energy: -91.665636
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -21.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -321.836756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.836756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.836756 (E_RNA)
where:
Base-Base interactions energy: -224.663
where: short stacking energy: -89.631
Base-Backbone interact. energy: -0.037
local terms energy: -97.136380
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -21.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -206.550414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.550414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.550414 (E_RNA)
where:
Base-Base interactions energy: -129.634
where: short stacking energy: -57.740
Base-Backbone interact. energy: 0.160
local terms energy: -77.077277
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -209.857046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.857046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.857046 (E_RNA)
where:
Base-Base interactions energy: -137.140
where: short stacking energy: -64.002
Base-Backbone interact. energy: -0.111
local terms energy: -72.606488
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -10.379
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: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -103.578075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.578075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.578075 (E_RNA)
where:
Base-Base interactions energy: -39.914
where: short stacking energy: -35.645
Base-Backbone interact. energy: -1.798
local terms energy: -61.866713
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -4.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -97.219566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.219566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.219566 (E_RNA)
where:
Base-Base interactions energy: -42.045
where: short stacking energy: -35.172
Base-Backbone interact. energy: -0.741
local terms energy: -54.433474
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -360.161800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.161800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.161800 (E_RNA)
where:
Base-Base interactions energy: -255.985
where: short stacking energy: -95.341
Base-Backbone interact. energy: -0.147
local terms energy: -104.029404
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -24.363
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -25.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -346.867041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.867041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.867041 (E_RNA)
where:
Base-Base interactions energy: -248.920
where: short stacking energy: -87.094
Base-Backbone interact. energy: -0.204
local terms energy: -97.742968
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -339.215335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.215335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.215335 (E_RNA)
where:
Base-Base interactions energy: -238.813
where: short stacking energy: -89.623
Base-Backbone interact. energy: -2.175
local terms energy: -98.227385
where:
bonds (distance) C4'-P energy: -21.958
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -15.903
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: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -329.006967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.006967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.006967 (E_RNA)
where:
Base-Base interactions energy: -229.556
where: short stacking energy: -94.579
Base-Backbone interact. energy: 0.172
local terms energy: -99.622718
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -25.121
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: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -332.584697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.584697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.584697 (E_RNA)
where:
Base-Base interactions energy: -240.616
where: short stacking energy: -90.513
Base-Backbone interact. energy: 0.276
local terms energy: -92.244343
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -307.629614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.629614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.629614 (E_RNA)
where:
Base-Base interactions energy: -219.692
where: short stacking energy: -91.766
Base-Backbone interact. energy: -0.399
local terms energy: -87.538984
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -20.112
flat angles P-C4'-P energy: -15.266
tors. eta vs tors. theta energy: -23.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -216.090663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.090663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.090663 (E_RNA)
where:
Base-Base interactions energy: -150.066
where: short stacking energy: -50.993
Base-Backbone interact. energy: 0.536
local terms energy: -66.560418
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -208.990231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.990231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.990231 (E_RNA)
where:
Base-Base interactions energy: -134.541
where: short stacking energy: -64.119
Base-Backbone interact. energy: -0.332
local terms energy: -74.117576
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -8.458
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: 9, replica: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -129.921637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.921637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.921637 (E_RNA)
where:
Base-Base interactions energy: -66.471
where: short stacking energy: -41.041
Base-Backbone interact. energy: -0.252
local terms energy: -63.199015
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -1.968
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: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -102.230981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.230981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.230981 (E_RNA)
where:
Base-Base interactions energy: -49.279
where: short stacking energy: -27.706
Base-Backbone interact. energy: 0.817
local terms energy: -53.769279
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: 1.924
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: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -358.973544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.973544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.973544 (E_RNA)
where:
Base-Base interactions energy: -251.456
where: short stacking energy: -93.691
Base-Backbone interact. energy: -0.169
local terms energy: -107.348372
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -21.068
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: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -343.028830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.028830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.028830 (E_RNA)
where:
Base-Base interactions energy: -249.429
where: short stacking energy: -90.984
Base-Backbone interact. energy: -0.281
local terms energy: -93.318593
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -15.172
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: 3, replica: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -344.063431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.063431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.063431 (E_RNA)
where:
Base-Base interactions energy: -249.347
where: short stacking energy: -87.253
Base-Backbone interact. energy: -0.212
local terms energy: -94.504226
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -345.154816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.154816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.154816 (E_RNA)
where:
Base-Base interactions energy: -237.038
where: short stacking energy: -102.232
Base-Backbone interact. energy: -0.047
local terms energy: -108.070135
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -22.816
flat angles P-C4'-P energy: -17.663
tors. eta vs tors. theta energy: -30.702
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: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -330.271494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.271494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.271494 (E_RNA)
where:
Base-Base interactions energy: -240.913
where: short stacking energy: -102.601
Base-Backbone interact. energy: -0.033
local terms energy: -89.325964
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -312.211727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.211727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.211727 (E_RNA)
where:
Base-Base interactions energy: -215.128
where: short stacking energy: -99.213
Base-Backbone interact. energy: -0.014
local terms energy: -97.069700
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -23.769
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: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -232.694704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.694704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.694704 (E_RNA)
where:
Base-Base interactions energy: -151.806
where: short stacking energy: -70.498
Base-Backbone interact. energy: -0.787
local terms energy: -80.101250
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -204.537114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.537114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.537114 (E_RNA)
where:
Base-Base interactions energy: -127.415
where: short stacking energy: -55.607
Base-Backbone interact. energy: -0.108
local terms energy: -77.014090
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -11.159
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: 9, replica: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -161.962155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.962155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.962155 (E_RNA)
where:
Base-Base interactions energy: -88.379
where: short stacking energy: -50.304
Base-Backbone interact. energy: -0.256
local terms energy: -73.326700
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -12.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -107.752406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.752406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.752406 (E_RNA)
where:
Base-Base interactions energy: -36.343
where: short stacking energy: -34.659
Base-Backbone interact. energy: -0.238
local terms energy: -71.171706
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -350.681196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.681196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.681196 (E_RNA)
where:
Base-Base interactions energy: -251.895
where: short stacking energy: -94.473
Base-Backbone interact. energy: -0.198
local terms energy: -98.587425
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -364.563654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.563654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.563654 (E_RNA)
where:
Base-Base interactions energy: -258.604
where: short stacking energy: -102.482
Base-Backbone interact. energy: -0.106
local terms energy: -105.853663
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -18.506
tors. eta vs tors. theta energy: -25.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -341.595320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.595320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.595320 (E_RNA)
where:
Base-Base interactions energy: -246.966
where: short stacking energy: -93.339
Base-Backbone interact. energy: -0.244
local terms energy: -94.385154
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -23.823
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: 4, replica: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -338.065755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.065755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.065755 (E_RNA)
where:
Base-Base interactions energy: -242.047
where: short stacking energy: -91.394
Base-Backbone interact. energy: -0.612
local terms energy: -95.406477
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -17.104
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: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -331.949773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.949773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.949773 (E_RNA)
where:
Base-Base interactions energy: -236.458
where: short stacking energy: -91.052
Base-Backbone interact. energy: -0.006
local terms energy: -95.485357
where:
bonds (distance) C4'-P energy: -21.627
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -26.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -292.305418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.305418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.305418 (E_RNA)
where:
Base-Base interactions energy: -191.890
where: short stacking energy: -90.450
Base-Backbone interact. energy: -0.099
local terms energy: -100.315965
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -23.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -238.143414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.143414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.143414 (E_RNA)
where:
Base-Base interactions energy: -176.172
where: short stacking energy: -62.778
Base-Backbone interact. energy: -0.460
local terms energy: -61.510606
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -12.293
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: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -193.787969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.787969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.787969 (E_RNA)
where:
Base-Base interactions energy: -114.592
where: short stacking energy: -58.118
Base-Backbone interact. energy: -0.614
local terms energy: -78.581233
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -115.994633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.994633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.994633 (E_RNA)
where:
Base-Base interactions energy: -46.077
where: short stacking energy: -41.058
Base-Backbone interact. energy: -0.406
local terms energy: -69.511964
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -101.592851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.592851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.592851 (E_RNA)
where:
Base-Base interactions energy: -45.086
where: short stacking energy: -34.511
Base-Backbone interact. energy: 0.908
local terms energy: -57.414644
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -6.349
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: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -361.978532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.978532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.978532 (E_RNA)
where:
Base-Base interactions energy: -260.397
where: short stacking energy: -86.046
Base-Backbone interact. energy: -0.735
local terms energy: -100.846619
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -23.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -346.575603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.575603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.575603 (E_RNA)
where:
Base-Base interactions energy: -244.176
where: short stacking energy: -94.667
Base-Backbone interact. energy: -0.161
local terms energy: -102.238186
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -23.781
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: 3, replica: 10
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -352.322664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.322664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.322664 (E_RNA)
where:
Base-Base interactions energy: -246.601
where: short stacking energy: -94.430
Base-Backbone interact. energy: -0.744
local terms energy: -104.977102
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -338.516569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.516569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.516569 (E_RNA)
where:
Base-Base interactions energy: -247.330
where: short stacking energy: -88.010
Base-Backbone interact. energy: -0.348
local terms energy: -90.838209
where:
bonds (distance) C4'-P energy: -20.721
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -336.764468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.764468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.764468 (E_RNA)
where:
Base-Base interactions energy: -244.647
where: short stacking energy: -92.425
Base-Backbone interact. energy: 0.225
local terms energy: -92.342188
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -17.512
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: 6, replica: 8
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -253.873880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.873880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.873880 (E_RNA)
where:
Base-Base interactions energy: -165.901
where: short stacking energy: -76.652
Base-Backbone interact. energy: -0.011
local terms energy: -87.961227
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -279.833582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.833582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.833582 (E_RNA)
where:
Base-Base interactions energy: -189.114
where: short stacking energy: -87.272
Base-Backbone interact. energy: -0.276
local terms energy: -90.443801
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -21.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -213.333144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.333144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.333144 (E_RNA)
where:
Base-Base interactions energy: -132.282
where: short stacking energy: -64.971
Base-Backbone interact. energy: -0.648
local terms energy: -80.402897
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -155.872482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.872482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.872482 (E_RNA)
where:
Base-Base interactions energy: -92.714
where: short stacking energy: -49.070
Base-Backbone interact. energy: -0.065
local terms energy: -63.092829
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -4.996
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: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -105.272593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.272593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.272593 (E_RNA)
where:
Base-Base interactions energy: -35.478
where: short stacking energy: -35.478
Base-Backbone interact. energy: -0.167
local terms energy: -69.627048
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -355.017612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.017612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.017612 (E_RNA)
where:
Base-Base interactions energy: -253.779
where: short stacking energy: -97.216
Base-Backbone interact. energy: -0.828
local terms energy: -100.410654
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -25.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -346.591145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.591145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.591145 (E_RNA)
where:
Base-Base interactions energy: -249.330
where: short stacking energy: -92.890
Base-Backbone interact. energy: 0.064
local terms energy: -97.325859
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -352.271106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.271106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.271106 (E_RNA)
where:
Base-Base interactions energy: -253.314
where: short stacking energy: -96.096
Base-Backbone interact. energy: -0.444
local terms energy: -98.512693
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -27.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -341.579309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.579309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.579309 (E_RNA)
where:
Base-Base interactions energy: -244.131
where: short stacking energy: -90.691
Base-Backbone interact. energy: -0.210
local terms energy: -97.238460
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -17.547
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: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -337.142562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.142562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.142562 (E_RNA)
where:
Base-Base interactions energy: -243.179
where: short stacking energy: -96.180
Base-Backbone interact. energy: -0.099
local terms energy: -93.864102
where:
bonds (distance) C4'-P energy: -23.415
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -24.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -248.025618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.025618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.025618 (E_RNA)
where:
Base-Base interactions energy: -161.612
where: short stacking energy: -74.761
Base-Backbone interact. energy: -0.154
local terms energy: -86.259597
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -15.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -250.641566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.641566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.641566 (E_RNA)
where:
Base-Base interactions energy: -165.731
where: short stacking energy: -82.133
Base-Backbone interact. energy: -0.251
local terms energy: -84.659360
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -203.801278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.801278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.801278 (E_RNA)
where:
Base-Base interactions energy: -125.668
where: short stacking energy: -70.449
Base-Backbone interact. energy: -0.397
local terms energy: -77.736060
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -98.575095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.575095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.575095 (E_RNA)
where:
Base-Base interactions energy: -39.942
where: short stacking energy: -30.615
Base-Backbone interact. energy: -0.951
local terms energy: -57.682178
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: 4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -107.662090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.662090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.662090 (E_RNA)
where:
Base-Base interactions energy: -42.659
where: short stacking energy: -42.078
Base-Backbone interact. energy: -0.305
local terms energy: -64.698510
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -354.858863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.858863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.858863 (E_RNA)
where:
Base-Base interactions energy: -247.813
where: short stacking energy: -99.561
Base-Backbone interact. energy: -0.063
local terms energy: -106.983227
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -25.631
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -26.520
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: 389
Temperature: 0.950000
Total energy: -360.583744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.583744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.583744 (E_RNA)
where:
Base-Base interactions energy: -257.046
where: short stacking energy: -97.871
Base-Backbone interact. energy: -0.341
local terms energy: -103.196462
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -25.838
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: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -344.973770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.973770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.973770 (E_RNA)
where:
Base-Base interactions energy: -251.541
where: short stacking energy: -93.062
Base-Backbone interact. energy: -0.251
local terms energy: -93.182537
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -346.117088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.117088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.117088 (E_RNA)
where:
Base-Base interactions energy: -243.836
where: short stacking energy: -90.655
Base-Backbone interact. energy: -0.057
local terms energy: -102.223854
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -26.386
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: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -329.031392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.031392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.031392 (E_RNA)
where:
Base-Base interactions energy: -237.591
where: short stacking energy: -85.237
Base-Backbone interact. energy: -0.346
local terms energy: -91.094439
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -19.938
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -20.893
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: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -285.662590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.662590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.662590 (E_RNA)
where:
Base-Base interactions energy: -194.218
where: short stacking energy: -82.966
Base-Backbone interact. energy: -0.121
local terms energy: -91.322749
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -234.256539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.256539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.256539 (E_RNA)
where:
Base-Base interactions energy: -155.778
where: short stacking energy: -67.894
Base-Backbone interact. energy: -0.095
local terms energy: -78.383664
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -10.518
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: 8, replica: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -191.315072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.315072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.315072 (E_RNA)
where:
Base-Base interactions energy: -118.449
where: short stacking energy: -47.813
Base-Backbone interact. energy: 2.459
local terms energy: -75.324744
where:
bonds (distance) C4'-P energy: -22.485
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -125.311097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.311097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.311097 (E_RNA)
where:
Base-Base interactions energy: -53.801
where: short stacking energy: -45.179
Base-Backbone interact. energy: -0.228
local terms energy: -71.281371
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -123.153361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.153361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.153361 (E_RNA)
where:
Base-Base interactions energy: -58.806
where: short stacking energy: -39.806
Base-Backbone interact. energy: -0.223
local terms energy: -64.124387
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -7.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -356.412011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.412011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.412011 (E_RNA)
where:
Base-Base interactions energy: -252.192
where: short stacking energy: -92.091
Base-Backbone interact. energy: -0.246
local terms energy: -103.973456
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -24.635
flat angles C4'-P-C4' energy: -22.591
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -23.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -349.379422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.379422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.379422 (E_RNA)
where:
Base-Base interactions energy: -258.197
where: short stacking energy: -98.420
Base-Backbone interact. energy: -0.400
local terms energy: -90.781935
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -22.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -353.504718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.504718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.504718 (E_RNA)
where:
Base-Base interactions energy: -251.295
where: short stacking energy: -94.924
Base-Backbone interact. energy: -0.159
local terms energy: -102.050745
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -25.325
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: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -340.608868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.608868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.608868 (E_RNA)
where:
Base-Base interactions energy: -252.598
where: short stacking energy: -89.147
Base-Backbone interact. energy: -0.353
local terms energy: -87.657913
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -23.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -294.037702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.037702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.037702 (E_RNA)
where:
Base-Base interactions energy: -210.861
where: short stacking energy: -91.820
Base-Backbone interact. energy: -0.297
local terms energy: -82.879984
where:
bonds (distance) C4'-P energy: -8.100
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -25.482
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: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -329.033752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.033752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.033752 (E_RNA)
where:
Base-Base interactions energy: -235.897
where: short stacking energy: -94.306
Base-Backbone interact. energy: -0.405
local terms energy: -92.732122
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -23.132
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -23.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -216.943399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.943399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.943399 (E_RNA)
where:
Base-Base interactions energy: -134.733
where: short stacking energy: -69.800
Base-Backbone interact. energy: -0.480
local terms energy: -81.730195
where:
bonds (distance) C4'-P energy: -21.707
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -11.838
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: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -220.793434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.793434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.793434 (E_RNA)
where:
Base-Base interactions energy: -140.595
where: short stacking energy: -59.645
Base-Backbone interact. energy: 0.899
local terms energy: -81.097077
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -141.043436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.043436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.043436 (E_RNA)
where:
Base-Base interactions energy: -62.263
where: short stacking energy: -29.462
Base-Backbone interact. energy: -0.841
local terms energy: -77.940007
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -8.569
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: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -113.737447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.737447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.737447 (E_RNA)
where:
Base-Base interactions energy: -42.665
where: short stacking energy: -33.659
Base-Backbone interact. energy: -1.727
local terms energy: -69.345773
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -1.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -343.395659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.395659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.395659 (E_RNA)
where:
Base-Base interactions energy: -246.203
where: short stacking energy: -93.970
Base-Backbone interact. energy: -0.145
local terms energy: -97.047988
where:
bonds (distance) C4'-P energy: -18.384
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -19.945
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: 391
Temperature: 0.950000
Total energy: -346.755110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.755110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.755110 (E_RNA)
where:
Base-Base interactions energy: -251.998
where: short stacking energy: -93.556
Base-Backbone interact. energy: -0.163
local terms energy: -94.594147
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -25.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -349.442253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.442253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.442253 (E_RNA)
where:
Base-Base interactions energy: -251.181
where: short stacking energy: -97.213
Base-Backbone interact. energy: -0.232
local terms energy: -98.028415
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -22.993
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -23.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -340.668755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.668755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.668755 (E_RNA)
where:
Base-Base interactions energy: -248.402
where: short stacking energy: -96.882
Base-Backbone interact. energy: -0.104
local terms energy: -92.162256
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -25.840
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: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -296.835426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.835426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.835426 (E_RNA)
where:
Base-Base interactions energy: -216.651
where: short stacking energy: -88.215
Base-Backbone interact. energy: -0.081
local terms energy: -80.103696
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -25.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -331.223091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.223091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.223091 (E_RNA)
where:
Base-Base interactions energy: -241.293
where: short stacking energy: -84.401
Base-Backbone interact. energy: -0.295
local terms energy: -89.634654
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -23.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -214.699725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.699725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.699725 (E_RNA)
where:
Base-Base interactions energy: -138.383
where: short stacking energy: -70.508
Base-Backbone interact. energy: -0.002
local terms energy: -76.313908
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -224.059625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.059625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.059625 (E_RNA)
where:
Base-Base interactions energy: -142.946
where: short stacking energy: -53.527
Base-Backbone interact. energy: 0.030
local terms energy: -81.143276
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -106.929670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.929670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.929670 (E_RNA)
where:
Base-Base interactions energy: -39.757
where: short stacking energy: -33.886
Base-Backbone interact. energy: -1.159
local terms energy: -66.013102
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -108.320064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.320064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.320064 (E_RNA)
where:
Base-Base interactions energy: -33.105
where: short stacking energy: -33.105
Base-Backbone interact. energy: -0.173
local terms energy: -75.042087
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -8.412
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: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -361.687603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.687603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.687603 (E_RNA)
where:
Base-Base interactions energy: -259.031
where: short stacking energy: -92.609
Base-Backbone interact. energy: -0.286
local terms energy: -102.370756
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -25.833
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: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -350.054827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.054827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.054827 (E_RNA)
where:
Base-Base interactions energy: -242.808
where: short stacking energy: -88.544
Base-Backbone interact. energy: -0.378
local terms energy: -106.868367
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -17.627
tors. eta vs tors. theta energy: -24.985
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: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -341.451185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.451185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.451185 (E_RNA)
where:
Base-Base interactions energy: -251.722
where: short stacking energy: -95.430
Base-Backbone interact. energy: -0.036
local terms energy: -89.692980
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -336.172455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.172455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.172455 (E_RNA)
where:
Base-Base interactions energy: -241.683
where: short stacking energy: -93.666
Base-Backbone interact. energy: -0.385
local terms energy: -94.104896
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -23.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -341.388743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.388743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.388743 (E_RNA)
where:
Base-Base interactions energy: -246.694
where: short stacking energy: -99.656
Base-Backbone interact. energy: -0.092
local terms energy: -94.603657
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -22.398
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: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -300.762997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.762997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.762997 (E_RNA)
where:
Base-Base interactions energy: -208.064
where: short stacking energy: -90.556
Base-Backbone interact. energy: 0.593
local terms energy: -93.292295
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -224.989433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.989433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.989433 (E_RNA)
where:
Base-Base interactions energy: -139.966
where: short stacking energy: -66.844
Base-Backbone interact. energy: -0.629
local terms energy: -84.394065
where:
bonds (distance) C4'-P energy: -22.207
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -12.467
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: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -191.077913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.077913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.077913 (E_RNA)
where:
Base-Base interactions energy: -115.230
where: short stacking energy: -53.336
Base-Backbone interact. energy: 1.063
local terms energy: -76.911261
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -11.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -108.068532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.068532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.068532 (E_RNA)
where:
Base-Base interactions energy: -40.194
where: short stacking energy: -38.553
Base-Backbone interact. energy: -0.348
local terms energy: -67.525723
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -111.906596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.906596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.906596 (E_RNA)
where:
Base-Base interactions energy: -55.479
where: short stacking energy: -31.062
Base-Backbone interact. energy: -0.250
local terms energy: -56.177562
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -350.110699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.110699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.110699 (E_RNA)
where:
Base-Base interactions energy: -243.006
where: short stacking energy: -92.171
Base-Backbone interact. energy: -0.223
local terms energy: -106.881889
where:
bonds (distance) C4'-P energy: -21.719
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -22.108
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -25.876
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: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -348.959243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.959243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.959243 (E_RNA)
where:
Base-Base interactions energy: -245.957
where: short stacking energy: -89.845
Base-Backbone interact. energy: -0.145
local terms energy: -102.857428
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -23.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -350.669721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.669721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.669721 (E_RNA)
where:
Base-Base interactions energy: -252.142
where: short stacking energy: -98.653
Base-Backbone interact. energy: -0.041
local terms energy: -98.486603
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -24.261
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: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -342.338825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.338825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.338825 (E_RNA)
where:
Base-Base interactions energy: -241.919
where: short stacking energy: -90.688
Base-Backbone interact. energy: -0.109
local terms energy: -100.310961
where:
bonds (distance) C4'-P energy: -21.308
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -22.511
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -26.704
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: 4
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -327.238359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.238359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.238359 (E_RNA)
where:
Base-Base interactions energy: -229.326
where: short stacking energy: -81.685
Base-Backbone interact. energy: -0.335
local terms energy: -97.577045
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -24.828
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -23.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -228.075368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.075368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.075368 (E_RNA)
where:
Base-Base interactions energy: -156.546
where: short stacking energy: -71.903
Base-Backbone interact. energy: -0.361
local terms energy: -71.168092
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -13.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -293.920374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.920374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.920374 (E_RNA)
where:
Base-Base interactions energy: -201.789
where: short stacking energy: -84.181
Base-Backbone interact. energy: -0.099
local terms energy: -92.032406
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -22.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -207.668116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.668116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.668116 (E_RNA)
where:
Base-Base interactions energy: -130.953
where: short stacking energy: -59.053
Base-Backbone interact. energy: -0.144
local terms energy: -76.570924
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -8.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -143.827626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.827626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.827626 (E_RNA)
where:
Base-Base interactions energy: -81.670
where: short stacking energy: -45.571
Base-Backbone interact. energy: 3.291
local terms energy: -65.449135
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -100.697713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.697713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.697713 (E_RNA)
where:
Base-Base interactions energy: -40.594
where: short stacking energy: -40.594
Base-Backbone interact. energy: -0.095
local terms energy: -60.008768
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -8.848
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -360.808533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.808533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.808533 (E_RNA)
where:
Base-Base interactions energy: -256.254
where: short stacking energy: -98.697
Base-Backbone interact. energy: -0.149
local terms energy: -104.405606
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -24.045
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -26.414
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: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -342.231600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.231600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.231600 (E_RNA)
where:
Base-Base interactions energy: -243.629
where: short stacking energy: -91.713
Base-Backbone interact. energy: -0.067
local terms energy: -98.535351
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -22.975
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: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -334.267565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.267565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.267565 (E_RNA)
where:
Base-Base interactions energy: -242.848
where: short stacking energy: -98.169
Base-Backbone interact. energy: -0.096
local terms energy: -91.323809
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -16.615
tors. eta vs tors. theta energy: -23.916
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: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -344.646137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.646137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.646137 (E_RNA)
where:
Base-Base interactions energy: -238.707
where: short stacking energy: -98.049
Base-Backbone interact. energy: -0.027
local terms energy: -105.912754
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -24.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -327.500624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.500624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.500624 (E_RNA)
where:
Base-Base interactions energy: -239.464
where: short stacking energy: -84.778
Base-Backbone interact. energy: 0.412
local terms energy: -88.448991
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -22.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -233.080032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.080032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.080032 (E_RNA)
where:
Base-Base interactions energy: -146.539
where: short stacking energy: -67.748
Base-Backbone interact. energy: -0.775
local terms energy: -85.765803
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -17.741
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: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -270.933712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.933712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.933712 (E_RNA)
where:
Base-Base interactions energy: -176.895
where: short stacking energy: -76.042
Base-Backbone interact. energy: -0.784
local terms energy: -93.254097
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -19.647
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: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -221.975556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.975556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.975556 (E_RNA)
where:
Base-Base interactions energy: -150.720
where: short stacking energy: -71.001
Base-Backbone interact. energy: -0.577
local terms energy: -70.678510
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -148.043181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.043181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.043181 (E_RNA)
where:
Base-Base interactions energy: -89.958
where: short stacking energy: -47.864
Base-Backbone interact. energy: -0.286
local terms energy: -57.799485
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -90.299837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.299837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.299837 (E_RNA)
where:
Base-Base interactions energy: -31.926
where: short stacking energy: -28.032
Base-Backbone interact. energy: 2.937
local terms energy: -61.311210
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -356.703252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.703252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.703252 (E_RNA)
where:
Base-Base interactions energy: -249.663
where: short stacking energy: -93.870
Base-Backbone interact. energy: -0.202
local terms energy: -106.838169
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -18.006
tors. eta vs tors. theta energy: -26.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -353.972063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.972063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.972063 (E_RNA)
where:
Base-Base interactions energy: -257.751
where: short stacking energy: -92.023
Base-Backbone interact. energy: -0.266
local terms energy: -95.954966
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -336.606568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.606568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.606568 (E_RNA)
where:
Base-Base interactions energy: -241.377
where: short stacking energy: -85.218
Base-Backbone interact. energy: -0.342
local terms energy: -94.887900
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -22.106
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: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -338.373535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.373535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.373535 (E_RNA)
where:
Base-Base interactions energy: -241.133
where: short stacking energy: -92.762
Base-Backbone interact. energy: -0.289
local terms energy: -96.951081
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -15.485
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: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -327.827558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.827558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.827558 (E_RNA)
where:
Base-Base interactions energy: -234.100
where: short stacking energy: -97.135
Base-Backbone interact. energy: -0.268
local terms energy: -93.459331
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -25.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -302.185326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.185326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.185326 (E_RNA)
where:
Base-Base interactions energy: -200.672
where: short stacking energy: -82.731
Base-Backbone interact. energy: -0.073
local terms energy: -101.441108
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -24.273
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -218.852987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.852987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.852987 (E_RNA)
where:
Base-Base interactions energy: -144.266
where: short stacking energy: -68.873
Base-Backbone interact. energy: -0.218
local terms energy: -74.369013
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -22.362
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -11.506
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: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -193.514648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.514648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.514648 (E_RNA)
where:
Base-Base interactions energy: -118.491
where: short stacking energy: -61.536
Base-Backbone interact. energy: -0.297
local terms energy: -74.726728
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -145.475748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.475748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.475748 (E_RNA)
where:
Base-Base interactions energy: -79.879
where: short stacking energy: -46.213
Base-Backbone interact. energy: -0.687
local terms energy: -64.909826
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -102.333544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.333544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.333544 (E_RNA)
where:
Base-Base interactions energy: -39.334
where: short stacking energy: -28.236
Base-Backbone interact. energy: 0.687
local terms energy: -63.686771
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: 1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -353.254158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.254158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.254158 (E_RNA)
where:
Base-Base interactions energy: -251.354
where: short stacking energy: -90.626
Base-Backbone interact. energy: -0.356
local terms energy: -101.543551
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -14.292
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: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -355.672225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.672225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.672225 (E_RNA)
where:
Base-Base interactions energy: -250.858
where: short stacking energy: -96.854
Base-Backbone interact. energy: -0.102
local terms energy: -104.712592
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -340.121442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.121442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.121442 (E_RNA)
where:
Base-Base interactions energy: -249.047
where: short stacking energy: -94.871
Base-Backbone interact. energy: -0.746
local terms energy: -90.328256
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -336.960055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.960055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.960055 (E_RNA)
where:
Base-Base interactions energy: -243.543
where: short stacking energy: -109.378
Base-Backbone interact. energy: -0.021
local terms energy: -93.395626
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -28.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -331.601053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.601053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.601053 (E_RNA)
where:
Base-Base interactions energy: -236.230
where: short stacking energy: -88.708
Base-Backbone interact. energy: -0.179
local terms energy: -95.192749
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -16.490
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: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -300.714938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.714938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.714938 (E_RNA)
where:
Base-Base interactions energy: -213.777
where: short stacking energy: -87.459
Base-Backbone interact. energy: -0.356
local terms energy: -86.581753
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -223.445768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.445768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.445768 (E_RNA)
where:
Base-Base interactions energy: -151.538
where: short stacking energy: -64.500
Base-Backbone interact. energy: 0.272
local terms energy: -72.180106
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -5.500
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: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -267.556552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.556552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.556552 (E_RNA)
where:
Base-Base interactions energy: -203.809
where: short stacking energy: -78.802
Base-Backbone interact. energy: 6.952
local terms energy: -70.699229
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -103.184781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.184781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.184781 (E_RNA)
where:
Base-Base interactions energy: -41.053
where: short stacking energy: -36.732
Base-Backbone interact. energy: -0.151
local terms energy: -61.981277
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -11.087
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: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -154.468732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.468732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.468732 (E_RNA)
where:
Base-Base interactions energy: -88.519
where: short stacking energy: -47.247
Base-Backbone interact. energy: 0.351
local terms energy: -66.300507
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -11.159
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: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -352.488587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.488587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.488587 (E_RNA)
where:
Base-Base interactions energy: -264.728
where: short stacking energy: -97.348
Base-Backbone interact. energy: -0.164
local terms energy: -87.596107
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -23.608
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: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -347.463592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.463592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.463592 (E_RNA)
where:
Base-Base interactions energy: -250.431
where: short stacking energy: -87.543
Base-Backbone interact. energy: 0.102
local terms energy: -97.134865
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -16.692
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: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -348.284418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.284418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.284418 (E_RNA)
where:
Base-Base interactions energy: -252.135
where: short stacking energy: -102.916
Base-Backbone interact. energy: -0.037
local terms energy: -96.112990
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -24.275
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: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -328.879490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.879490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.879490 (E_RNA)
where:
Base-Base interactions energy: -233.375
where: short stacking energy: -86.502
Base-Backbone interact. energy: -0.267
local terms energy: -95.237448
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -319.301711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.301711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.301711 (E_RNA)
where:
Base-Base interactions energy: -224.850
where: short stacking energy: -95.564
Base-Backbone interact. energy: -0.109
local terms energy: -94.342403
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -25.628
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: 397
Temperature: 1.150000
Total energy: -301.097658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.097658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.097658 (E_RNA)
where:
Base-Base interactions energy: -207.238
where: short stacking energy: -81.758
Base-Backbone interact. energy: -0.432
local terms energy: -93.427577
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -21.126
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: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -216.082301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.082301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.082301 (E_RNA)
where:
Base-Base interactions energy: -135.555
where: short stacking energy: -61.498
Base-Backbone interact. energy: -0.388
local terms energy: -80.138986
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -11.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -313.511771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.511771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.511771 (E_RNA)
where:
Base-Base interactions energy: -229.933
where: short stacking energy: -82.760
Base-Backbone interact. energy: -0.248
local terms energy: -83.329922
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -12.190
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: 9, replica: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -107.369001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.369001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.369001 (E_RNA)
where:
Base-Base interactions energy: -40.570
where: short stacking energy: -40.570
Base-Backbone interact. energy: -0.182
local terms energy: -66.617654
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -109.328838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.328838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.328838 (E_RNA)
where:
Base-Base interactions energy: -37.291
where: short stacking energy: -37.291
Base-Backbone interact. energy: -0.042
local terms energy: -71.996319
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -12.290
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: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -358.972334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.972334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.972334 (E_RNA)
where:
Base-Base interactions energy: -254.012
where: short stacking energy: -98.494
Base-Backbone interact. energy: -0.162
local terms energy: -104.798624
where:
bonds (distance) C4'-P energy: -21.723
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -23.135
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: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -337.332112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.332112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.332112 (E_RNA)
where:
Base-Base interactions energy: -228.246
where: short stacking energy: -99.132
Base-Backbone interact. energy: -1.226
local terms energy: -107.860207
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -29.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -338.354206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.354206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.354206 (E_RNA)
where:
Base-Base interactions energy: -247.329
where: short stacking energy: -97.028
Base-Backbone interact. energy: -0.355
local terms energy: -90.670748
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -346.141036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.141036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.141036 (E_RNA)
where:
Base-Base interactions energy: -251.632
where: short stacking energy: -97.237
Base-Backbone interact. energy: -0.180
local terms energy: -94.328464
where:
bonds (distance) C4'-P energy: -20.527
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -25.262
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: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -326.159256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.159256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.159256 (E_RNA)
where:
Base-Base interactions energy: -227.642
where: short stacking energy: -97.463
Base-Backbone interact. energy: -0.079
local terms energy: -98.437551
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -22.150
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -29.068
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: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -306.513817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.513817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.513817 (E_RNA)
where:
Base-Base interactions energy: -208.780
where: short stacking energy: -90.315
Base-Backbone interact. energy: -0.308
local terms energy: -97.425562
where:
bonds (distance) C4'-P energy: -21.674
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -18.565
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: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -314.411941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.411941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.411941 (E_RNA)
where:
Base-Base interactions energy: -228.609
where: short stacking energy: -100.514
Base-Backbone interact. energy: -0.709
local terms energy: -85.093530
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -26.842
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: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -225.469383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.469383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.469383 (E_RNA)
where:
Base-Base interactions energy: -146.273
where: short stacking energy: -67.441
Base-Backbone interact. energy: -0.255
local terms energy: -78.941921
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -118.779306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.779306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.779306 (E_RNA)
where:
Base-Base interactions energy: -63.067
where: short stacking energy: -37.461
Base-Backbone interact. energy: -0.128
local terms energy: -55.584010
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -10.564
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: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -104.028199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.028199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.028199 (E_RNA)
where:
Base-Base interactions energy: -42.156
where: short stacking energy: -41.541
Base-Backbone interact. energy: 1.584
local terms energy: -63.456499
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -357.710163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.710163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.710163 (E_RNA)
where:
Base-Base interactions energy: -251.341
where: short stacking energy: -93.572
Base-Backbone interact. energy: -0.768
local terms energy: -105.601273
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -24.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -350.018528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.018528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.018528 (E_RNA)
where:
Base-Base interactions energy: -250.037
where: short stacking energy: -94.672
Base-Backbone interact. energy: -0.581
local terms energy: -99.401053
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -339.749487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.749487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.749487 (E_RNA)
where:
Base-Base interactions energy: -244.166
where: short stacking energy: -94.187
Base-Backbone interact. energy: -0.093
local terms energy: -95.490409
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -27.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -342.824640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.824640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.824640 (E_RNA)
where:
Base-Base interactions energy: -248.572
where: short stacking energy: -91.482
Base-Backbone interact. energy: 0.952
local terms energy: -95.205318
where:
bonds (distance) C4'-P energy: -23.986
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -325.297744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.297744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.297744 (E_RNA)
where:
Base-Base interactions energy: -223.364
where: short stacking energy: -99.227
Base-Backbone interact. energy: 0.421
local terms energy: -102.354666
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -17.332
tors. eta vs tors. theta energy: -27.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -317.993753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.993753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.993753 (E_RNA)
where:
Base-Base interactions energy: -226.127
where: short stacking energy: -85.854
Base-Backbone interact. energy: -0.459
local terms energy: -91.408340
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -306.817957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.817957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.817957 (E_RNA)
where:
Base-Base interactions energy: -208.399
where: short stacking energy: -98.676
Base-Backbone interact. energy: -0.241
local terms energy: -98.177300
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -20.469
flat angles P-C4'-P energy: -15.122
tors. eta vs tors. theta energy: -25.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -213.664538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.664538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.664538 (E_RNA)
where:
Base-Base interactions energy: -140.754
where: short stacking energy: -61.719
Base-Backbone interact. energy: 0.663
local terms energy: -73.573265
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -8.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -104.455655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.455655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.455655 (E_RNA)
where:
Base-Base interactions energy: -44.671
where: short stacking energy: -36.411
Base-Backbone interact. energy: -0.147
local terms energy: -59.636962
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -3.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -111.065056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.065056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.065056 (E_RNA)
where:
Base-Base interactions energy: -50.460
where: short stacking energy: -47.714
Base-Backbone interact. energy: -0.442
local terms energy: -60.163082
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -10.848
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: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -355.148887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.148887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.148887 (E_RNA)
where:
Base-Base interactions energy: -250.052
where: short stacking energy: -92.972
Base-Backbone interact. energy: -0.241
local terms energy: -104.855869
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -24.764
flat angles P-C4'-P energy: -19.601
tors. eta vs tors. theta energy: -22.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -345.622239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.622239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.622239 (E_RNA)
where:
Base-Base interactions energy: -251.145
where: short stacking energy: -95.402
Base-Backbone interact. energy: -0.244
local terms energy: -94.233127
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -22.214
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -25.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -336.394236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.394236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.394236 (E_RNA)
where:
Base-Base interactions energy: -250.108
where: short stacking energy: -90.154
Base-Backbone interact. energy: 0.520
local terms energy: -86.806426
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -21.852
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -12.401
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: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -336.470843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.470843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.470843 (E_RNA)
where:
Base-Base interactions energy: -240.134
where: short stacking energy: -89.511
Base-Backbone interact. energy: -0.116
local terms energy: -96.220562
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -22.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -335.454343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.454343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.454343 (E_RNA)
where:
Base-Base interactions energy: -243.399
where: short stacking energy: -95.798
Base-Backbone interact. energy: -0.189
local terms energy: -91.866114
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -24.455
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: 400
Temperature: 1.150000
Total energy: -322.957426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.957426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.957426 (E_RNA)
where:
Base-Base interactions energy: -225.321
where: short stacking energy: -95.737
Base-Backbone interact. energy: -0.006
local terms energy: -97.630893
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -28.548
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: 400
Temperature: 1.200000
Total energy: -282.488567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.488567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.488567 (E_RNA)
where:
Base-Base interactions energy: -197.366
where: short stacking energy: -87.259
Base-Backbone interact. energy: -0.373
local terms energy: -84.749951
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -235.249395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.249395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.249395 (E_RNA)
where:
Base-Base interactions energy: -151.466
where: short stacking energy: -70.081
Base-Backbone interact. energy: -0.286
local terms energy: -83.497246
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -110.654854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.654854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.654854 (E_RNA)
where:
Base-Base interactions energy: -38.346
where: short stacking energy: -31.098
Base-Backbone interact. energy: -0.250
local terms energy: -72.058275
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -96.095910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.095910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.095910 (E_RNA)
where:
Base-Base interactions energy: -36.563
where: short stacking energy: -28.389
Base-Backbone interact. energy: -0.338
local terms energy: -59.194469
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: 1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -349.298104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.298104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.298104 (E_RNA)
where:
Base-Base interactions energy: -245.384
where: short stacking energy: -82.371
Base-Backbone interact. energy: -0.098
local terms energy: -103.816293
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -21.646
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -25.170
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: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -351.594592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.594592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.594592 (E_RNA)
where:
Base-Base interactions energy: -252.601
where: short stacking energy: -93.425
Base-Backbone interact. energy: -0.136
local terms energy: -98.857644
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -28.344
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: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -342.629858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.629858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.629858 (E_RNA)
where:
Base-Base interactions energy: -252.139
where: short stacking energy: -93.749
Base-Backbone interact. energy: -0.494
local terms energy: -89.996790
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -353.233233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.233233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.233233 (E_RNA)
where:
Base-Base interactions energy: -246.876
where: short stacking energy: -85.501
Base-Backbone interact. energy: -1.715
local terms energy: -104.642543
where:
bonds (distance) C4'-P energy: -20.435
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -19.061
tors. eta vs tors. theta energy: -24.889
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: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -326.836576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.836576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.836576 (E_RNA)
where:
Base-Base interactions energy: -235.435
where: short stacking energy: -100.630
Base-Backbone interact. energy: -0.216
local terms energy: -91.184730
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -27.064
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: 401
Temperature: 1.150000
Total energy: -323.323564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.323564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.323564 (E_RNA)
where:
Base-Base interactions energy: -232.492
where: short stacking energy: -87.443
Base-Backbone interact. energy: -0.734
local terms energy: -90.097138
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -23.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -307.053274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.053274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.053274 (E_RNA)
where:
Base-Base interactions energy: -211.870
where: short stacking energy: -85.609
Base-Backbone interact. energy: -0.107
local terms energy: -95.076555
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -23.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -228.668865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.668865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.668865 (E_RNA)
where:
Base-Base interactions energy: -149.954
where: short stacking energy: -64.116
Base-Backbone interact. energy: -0.175
local terms energy: -78.539610
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -12.731
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: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -107.683387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.683387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.683387 (E_RNA)
where:
Base-Base interactions energy: -39.657
where: short stacking energy: -32.611
Base-Backbone interact. energy: -0.249
local terms energy: -67.777463
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -103.631171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.631171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.631171 (E_RNA)
where:
Base-Base interactions energy: -50.389
where: short stacking energy: -26.794
Base-Backbone interact. energy: 3.219
local terms energy: -56.461509
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: 0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -355.749887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.749887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.749887 (E_RNA)
where:
Base-Base interactions energy: -247.584
where: short stacking energy: -91.190
Base-Backbone interact. energy: -0.551
local terms energy: -107.614935
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -23.626
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: -24.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -343.666933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.666933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.666933 (E_RNA)
where:
Base-Base interactions energy: -238.569
where: short stacking energy: -87.700
Base-Backbone interact. energy: -0.516
local terms energy: -104.582032
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -23.005
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -25.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -343.052706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.052706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.052706 (E_RNA)
where:
Base-Base interactions energy: -243.681
where: short stacking energy: -91.910
Base-Backbone interact. energy: -0.220
local terms energy: -99.150861
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -20.915
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -21.666
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: 402
Temperature: 1.050000
Total energy: -331.975213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.975213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.975213 (E_RNA)
where:
Base-Base interactions energy: -241.202
where: short stacking energy: -94.782
Base-Backbone interact. energy: 0.150
local terms energy: -90.922802
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -25.998
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: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -334.342529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.342529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.342529 (E_RNA)
where:
Base-Base interactions energy: -238.071
where: short stacking energy: -97.110
Base-Backbone interact. energy: -0.061
local terms energy: -96.210293
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -24.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -325.301598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.301598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.301598 (E_RNA)
where:
Base-Base interactions energy: -226.970
where: short stacking energy: -99.252
Base-Backbone interact. energy: -0.506
local terms energy: -97.825727
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -27.700
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: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -310.810283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.810283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.810283 (E_RNA)
where:
Base-Base interactions energy: -221.981
where: short stacking energy: -85.141
Base-Backbone interact. energy: -0.005
local terms energy: -88.824558
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -23.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -203.589994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.589994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.589994 (E_RNA)
where:
Base-Base interactions energy: -136.635
where: short stacking energy: -65.071
Base-Backbone interact. energy: -0.511
local terms energy: -66.444190
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -10.881
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: 402
Temperature: 1.300000
Total energy: -105.560067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.560067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.560067 (E_RNA)
where:
Base-Base interactions energy: -39.143
where: short stacking energy: -38.483
Base-Backbone interact. energy: -0.378
local terms energy: -66.039781
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -107.560285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.560285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.560285 (E_RNA)
where:
Base-Base interactions energy: -50.693
where: short stacking energy: -38.665
Base-Backbone interact. energy: -0.341
local terms energy: -56.526032
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -2.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -352.306407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.306407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.306407 (E_RNA)
where:
Base-Base interactions energy: -248.011
where: short stacking energy: -86.863
Base-Backbone interact. energy: -0.319
local terms energy: -103.975970
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -24.266
flat angles P-C4'-P energy: -18.306
tors. eta vs tors. theta energy: -22.611
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: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -349.544178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.544178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.544178 (E_RNA)
where:
Base-Base interactions energy: -252.607
where: short stacking energy: -90.240
Base-Backbone interact. energy: -0.238
local terms energy: -96.699423
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -347.706603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.706603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.706603 (E_RNA)
where:
Base-Base interactions energy: -247.567
where: short stacking energy: -94.380
Base-Backbone interact. energy: -0.116
local terms energy: -100.023706
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -20.915
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -24.044
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: 403
Temperature: 1.050000
Total energy: -333.001090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.001090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.001090 (E_RNA)
where:
Base-Base interactions energy: -236.116
where: short stacking energy: -100.461
Base-Backbone interact. energy: -0.219
local terms energy: -96.666074
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -23.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -332.954032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.954032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.954032 (E_RNA)
where:
Base-Base interactions energy: -236.845
where: short stacking energy: -94.807
Base-Backbone interact. energy: -0.182
local terms energy: -95.927136
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -26.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -281.584730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.584730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.584730 (E_RNA)
where:
Base-Base interactions energy: -194.937
where: short stacking energy: -75.936
Base-Backbone interact. energy: -0.037
local terms energy: -86.610312
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -22.933
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: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -327.166979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.166979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.166979 (E_RNA)
where:
Base-Base interactions energy: -231.011
where: short stacking energy: -100.454
Base-Backbone interact. energy: -0.003
local terms energy: -96.153166
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -28.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -222.641795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.641795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.641795 (E_RNA)
where:
Base-Base interactions energy: -144.136
where: short stacking energy: -68.470
Base-Backbone interact. energy: -0.465
local terms energy: -78.040596
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -12.420
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: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -136.933085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.933085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.933085 (E_RNA)
where:
Base-Base interactions energy: -74.139
where: short stacking energy: -38.206
Base-Backbone interact. energy: 0.178
local terms energy: -62.972238
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -103.557689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.557689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.557689 (E_RNA)
where:
Base-Base interactions energy: -35.934
where: short stacking energy: -35.934
Base-Backbone interact. energy: 0.394
local terms energy: -68.017451
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -349.599510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.599510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.599510 (E_RNA)
where:
Base-Base interactions energy: -249.352
where: short stacking energy: -95.468
Base-Backbone interact. energy: -0.733
local terms energy: -99.514647
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -16.826
tors. eta vs tors. theta energy: -23.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -344.859418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.859418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.859418 (E_RNA)
where:
Base-Base interactions energy: -256.849
where: short stacking energy: -94.946
Base-Backbone interact. energy: -0.549
local terms energy: -87.461678
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -10.589
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: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -348.002847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.002847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.002847 (E_RNA)
where:
Base-Base interactions energy: -245.693
where: short stacking energy: -96.450
Base-Backbone interact. energy: -0.091
local terms energy: -102.218859
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -21.233
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -22.218
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: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -334.715369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.715369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.715369 (E_RNA)
where:
Base-Base interactions energy: -236.219
where: short stacking energy: -91.773
Base-Backbone interact. energy: -0.185
local terms energy: -98.311954
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -25.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -336.053939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.053939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.053939 (E_RNA)
where:
Base-Base interactions energy: -241.018
where: short stacking energy: -88.548
Base-Backbone interact. energy: -0.332
local terms energy: -94.703845
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -26.230
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: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -302.268328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.268328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.268328 (E_RNA)
where:
Base-Base interactions energy: -211.919
where: short stacking energy: -74.527
Base-Backbone interact. energy: -0.239
local terms energy: -90.110107
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -343.716407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.716407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.716407 (E_RNA)
where:
Base-Base interactions energy: -245.331
where: short stacking energy: -94.935
Base-Backbone interact. energy: -0.753
local terms energy: -97.632444
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -25.691
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: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -218.650003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.650003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.650003 (E_RNA)
where:
Base-Base interactions energy: -147.369
where: short stacking energy: -68.124
Base-Backbone interact. energy: -0.413
local terms energy: -70.867698
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -19.026
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -182.326655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.326655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.326655 (E_RNA)
where:
Base-Base interactions energy: -113.963
where: short stacking energy: -58.118
Base-Backbone interact. energy: -0.454
local terms energy: -67.909344
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -13.815
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: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -97.178112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.178112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.178112 (E_RNA)
where:
Base-Base interactions energy: -39.572
where: short stacking energy: -34.492
Base-Backbone interact. energy: 0.424
local terms energy: -58.029878
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -357.832525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.832525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.832525 (E_RNA)
where:
Base-Base interactions energy: -251.926
where: short stacking energy: -98.472
Base-Backbone interact. energy: -0.543
local terms energy: -105.363884
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -20.632
tors. eta vs tors. theta energy: -21.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -342.030547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.030547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.030547 (E_RNA)
where:
Base-Base interactions energy: -255.252
where: short stacking energy: -89.335
Base-Backbone interact. energy: -0.409
local terms energy: -86.370186
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -23.184
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: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -342.752366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.752366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.752366 (E_RNA)
where:
Base-Base interactions energy: -236.843
where: short stacking energy: -90.618
Base-Backbone interact. energy: -0.084
local terms energy: -105.825895
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -27.669
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: 405
Temperature: 1.050000
Total energy: -339.607889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.607889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.607889 (E_RNA)
where:
Base-Base interactions energy: -247.416
where: short stacking energy: -94.194
Base-Backbone interact. energy: -0.118
local terms energy: -92.074015
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -25.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -339.442583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.442583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.442583 (E_RNA)
where:
Base-Base interactions energy: -249.118
where: short stacking energy: -96.072
Base-Backbone interact. energy: -0.081
local terms energy: -90.243670
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -26.243
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: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -336.750683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.750683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.750683 (E_RNA)
where:
Base-Base interactions energy: -244.045
where: short stacking energy: -92.986
Base-Backbone interact. energy: -0.257
local terms energy: -92.449021
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -27.933
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: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -288.873726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.873726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.873726 (E_RNA)
where:
Base-Base interactions energy: -210.969
where: short stacking energy: -89.384
Base-Backbone interact. energy: 0.926
local terms energy: -78.830517
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -19.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -156.616639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.616639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.616639 (E_RNA)
where:
Base-Base interactions energy: -100.413
where: short stacking energy: -49.718
Base-Backbone interact. energy: 0.107
local terms energy: -56.310591
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -2.815
tors. eta vs tors. theta energy: -6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -198.287625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.287625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.287625 (E_RNA)
where:
Base-Base interactions energy: -132.616
where: short stacking energy: -58.728
Base-Backbone interact. energy: -0.429
local terms energy: -65.241986
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -104.459949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.459949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.459949 (E_RNA)
where:
Base-Base interactions energy: -41.201
where: short stacking energy: -31.222
Base-Backbone interact. energy: -0.793
local terms energy: -62.466218
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: 0.019
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: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -353.321216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.321216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.321216 (E_RNA)
where:
Base-Base interactions energy: -250.231
where: short stacking energy: -93.619
Base-Backbone interact. energy: 0.145
local terms energy: -103.235263
where:
bonds (distance) C4'-P energy: -21.731
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -18.471
tors. eta vs tors. theta energy: -22.774
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: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -351.234125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.234125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.234125 (E_RNA)
where:
Base-Base interactions energy: -246.501
where: short stacking energy: -89.713
Base-Backbone interact. energy: -0.513
local terms energy: -104.220866
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -23.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -355.667805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.667805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.667805 (E_RNA)
where:
Base-Base interactions energy: -261.481
where: short stacking energy: -97.269
Base-Backbone interact. energy: -0.052
local terms energy: -94.134889
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -25.617
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: 406
Temperature: 1.050000
Total energy: -340.632353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.632353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.632353 (E_RNA)
where:
Base-Base interactions energy: -245.356
where: short stacking energy: -90.621
Base-Backbone interact. energy: -0.600
local terms energy: -94.676051
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -341.647838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.647838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.647838 (E_RNA)
where:
Base-Base interactions energy: -243.390
where: short stacking energy: -90.251
Base-Backbone interact. energy: -0.234
local terms energy: -98.023745
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -28.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -333.688060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.688060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.688060 (E_RNA)
where:
Base-Base interactions energy: -241.020
where: short stacking energy: -97.144
Base-Backbone interact. energy: -0.727
local terms energy: -91.941529
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -26.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -291.321624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.321624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.321624 (E_RNA)
where:
Base-Base interactions energy: -203.032
where: short stacking energy: -86.481
Base-Backbone interact. energy: -0.050
local terms energy: -88.239222
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -24.274
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: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -131.113951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.113951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.113951 (E_RNA)
where:
Base-Base interactions energy: -64.143
where: short stacking energy: -34.812
Base-Backbone interact. energy: -0.216
local terms energy: -66.754738
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -177.551093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.551093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.551093 (E_RNA)
where:
Base-Base interactions energy: -111.013
where: short stacking energy: -56.233
Base-Backbone interact. energy: -0.406
local terms energy: -66.132213
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -13.793
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: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -98.580805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.580805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.580805 (E_RNA)
where:
Base-Base interactions energy: -25.740
where: short stacking energy: -25.740
Base-Backbone interact. energy: -0.265
local terms energy: -72.575258
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -358.282598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.282598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.282598 (E_RNA)
where:
Base-Base interactions energy: -254.534
where: short stacking energy: -96.138
Base-Backbone interact. energy: -0.706
local terms energy: -103.043036
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -18.266
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -353.095463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.095463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.095463 (E_RNA)
where:
Base-Base interactions energy: -254.038
where: short stacking energy: -97.550
Base-Backbone interact. energy: -0.062
local terms energy: -98.995171
where:
bonds (distance) C4'-P energy: -21.697
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -24.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -346.509065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.509065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.509065 (E_RNA)
where:
Base-Base interactions energy: -250.378
where: short stacking energy: -94.288
Base-Backbone interact. energy: -0.267
local terms energy: -95.863800
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -23.850
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: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -336.111578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.111578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.111578 (E_RNA)
where:
Base-Base interactions energy: -240.021
where: short stacking energy: -84.875
Base-Backbone interact. energy: -0.121
local terms energy: -95.969633
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -334.913741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.913741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.913741 (E_RNA)
where:
Base-Base interactions energy: -241.733
where: short stacking energy: -96.353
Base-Backbone interact. energy: -0.569
local terms energy: -92.611775
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -339.324419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.324419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.324419 (E_RNA)
where:
Base-Base interactions energy: -239.792
where: short stacking energy: -96.166
Base-Backbone interact. energy: -0.243
local terms energy: -99.289684
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -24.802
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -24.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -269.656494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.656494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.656494 (E_RNA)
where:
Base-Base interactions energy: -187.147
where: short stacking energy: -80.421
Base-Backbone interact. energy: -0.128
local terms energy: -82.381312
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -167.607038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.607038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.607038 (E_RNA)
where:
Base-Base interactions energy: -92.015
where: short stacking energy: -46.844
Base-Backbone interact. energy: -0.089
local terms energy: -75.502618
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -15.209
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: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -106.466479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.466479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.466479 (E_RNA)
where:
Base-Base interactions energy: -40.022
where: short stacking energy: -33.825
Base-Backbone interact. energy: -0.265
local terms energy: -66.179710
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -4.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -106.591131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.591131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.591131 (E_RNA)
where:
Base-Base interactions energy: -35.495
where: short stacking energy: -35.210
Base-Backbone interact. energy: -0.100
local terms energy: -70.995944
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -358.080587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.080587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.080587 (E_RNA)
where:
Base-Base interactions energy: -248.328
where: short stacking energy: -96.967
Base-Backbone interact. energy: -0.097
local terms energy: -109.655671
where:
bonds (distance) C4'-P energy: -21.250
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -24.856
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: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -346.394761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.394761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.394761 (E_RNA)
where:
Base-Base interactions energy: -255.296
where: short stacking energy: -98.643
Base-Backbone interact. energy: -0.325
local terms energy: -90.774599
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -21.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -351.454442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.454442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.454442 (E_RNA)
where:
Base-Base interactions energy: -249.164
where: short stacking energy: -94.454
Base-Backbone interact. energy: -0.274
local terms energy: -102.016714
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -21.767
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -25.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -322.610920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.610920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.610920 (E_RNA)
where:
Base-Base interactions energy: -227.450
where: short stacking energy: -92.344
Base-Backbone interact. energy: -0.125
local terms energy: -95.035741
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -334.517561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.517561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.517561 (E_RNA)
where:
Base-Base interactions energy: -229.884
where: short stacking energy: -87.439
Base-Backbone interact. energy: -0.142
local terms energy: -104.492039
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -327.617872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.617872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.617872 (E_RNA)
where:
Base-Base interactions energy: -240.061
where: short stacking energy: -90.087
Base-Backbone interact. energy: 0.259
local terms energy: -87.815876
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -299.086485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.086485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.086485 (E_RNA)
where:
Base-Base interactions energy: -204.024
where: short stacking energy: -89.065
Base-Backbone interact. energy: 0.090
local terms energy: -95.153161
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -25.988
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: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -157.442151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.442151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.442151 (E_RNA)
where:
Base-Base interactions energy: -86.583
where: short stacking energy: -45.344
Base-Backbone interact. energy: -0.081
local terms energy: -70.778411
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -131.063295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.063295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.063295 (E_RNA)
where:
Base-Base interactions energy: -70.206
where: short stacking energy: -31.102
Base-Backbone interact. energy: 0.882
local terms energy: -61.738839
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: 1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -153.553434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.553434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.553434 (E_RNA)
where:
Base-Base interactions energy: -75.646
where: short stacking energy: -45.668
Base-Backbone interact. energy: -0.184
local terms energy: -77.724057
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -367.897818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.897818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.897818 (E_RNA)
where:
Base-Base interactions energy: -256.890
where: short stacking energy: -102.270
Base-Backbone interact. energy: -0.091
local terms energy: -110.916184
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -18.725
tors. eta vs tors. theta energy: -25.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -350.614636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.614636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.614636 (E_RNA)
where:
Base-Base interactions energy: -254.956
where: short stacking energy: -87.990
Base-Backbone interact. energy: -0.765
local terms energy: -94.893693
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -18.323
tors. eta vs tors. theta energy: -21.479
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: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -343.829370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.829370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.829370 (E_RNA)
where:
Base-Base interactions energy: -237.242
where: short stacking energy: -92.501
Base-Backbone interact. energy: -0.072
local terms energy: -106.514787
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -23.387
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -25.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -340.921917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.921917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.921917 (E_RNA)
where:
Base-Base interactions energy: -244.036
where: short stacking energy: -86.083
Base-Backbone interact. energy: -0.393
local terms energy: -96.492351
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -23.942
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -323.560638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.560638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.560638 (E_RNA)
where:
Base-Base interactions energy: -229.741
where: short stacking energy: -85.557
Base-Backbone interact. energy: -0.092
local terms energy: -93.727483
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -23.558
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -24.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -297.051405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.051405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.051405 (E_RNA)
where:
Base-Base interactions energy: -209.329
where: short stacking energy: -85.156
Base-Backbone interact. energy: -0.308
local terms energy: -87.414580
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -22.708
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: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -325.658661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.658661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.658661 (E_RNA)
where:
Base-Base interactions energy: -232.492
where: short stacking energy: -94.257
Base-Backbone interact. energy: -0.222
local terms energy: -92.944432
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -25.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -154.753036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.753036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.753036 (E_RNA)
where:
Base-Base interactions energy: -88.840
where: short stacking energy: -46.758
Base-Backbone interact. energy: 0.829
local terms energy: -66.741902
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -117.695613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.695613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.695613 (E_RNA)
where:
Base-Base interactions energy: -51.411
where: short stacking energy: -39.938
Base-Backbone interact. energy: -0.218
local terms energy: -66.067142
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -137.260649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.260649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.260649 (E_RNA)
where:
Base-Base interactions energy: -86.585
where: short stacking energy: -35.793
Base-Backbone interact. energy: 2.768
local terms energy: -53.443712
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -19.095
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: 4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -357.115114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.115114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.115114 (E_RNA)
where:
Base-Base interactions energy: -261.082
where: short stacking energy: -103.423
Base-Backbone interact. energy: -0.101
local terms energy: -95.932080
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -351.264522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.264522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.264522 (E_RNA)
where:
Base-Base interactions energy: -252.606
where: short stacking energy: -94.803
Base-Backbone interact. energy: -0.704
local terms energy: -97.954433
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -23.022
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -23.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -327.528294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.528294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.528294 (E_RNA)
where:
Base-Base interactions energy: -222.066
where: short stacking energy: -88.749
Base-Backbone interact. energy: -0.106
local terms energy: -105.355674
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -24.263
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: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -342.756025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.756025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.756025 (E_RNA)
where:
Base-Base interactions energy: -242.538
where: short stacking energy: -90.549
Base-Backbone interact. energy: -0.057
local terms energy: -100.161540
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -24.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -323.336216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.336216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.336216 (E_RNA)
where:
Base-Base interactions energy: -228.221
where: short stacking energy: -88.490
Base-Backbone interact. energy: -0.676
local terms energy: -94.439039
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -22.205
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: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -289.104791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.104791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.104791 (E_RNA)
where:
Base-Base interactions energy: -196.569
where: short stacking energy: -83.965
Base-Backbone interact. energy: 0.560
local terms energy: -93.095061
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -21.917
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -20.853
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: 410
Temperature: 1.200000
Total energy: -303.053708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.053708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.053708 (E_RNA)
where:
Base-Base interactions energy: -214.583
where: short stacking energy: -91.988
Base-Backbone interact. energy: -1.805
local terms energy: -86.664858
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -23.159
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: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -159.734110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.734110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.734110 (E_RNA)
where:
Base-Base interactions energy: -103.190
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.338
local terms energy: -56.206349
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -114.485701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.485701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.485701 (E_RNA)
where:
Base-Base interactions energy: -48.312
where: short stacking energy: -38.752
Base-Backbone interact. energy: -0.059
local terms energy: -66.114183
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -127.235560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.235560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.235560 (E_RNA)
where:
Base-Base interactions energy: -63.971
where: short stacking energy: -40.369
Base-Backbone interact. energy: -0.164
local terms energy: -63.100125
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -361.242703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.242703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.242703 (E_RNA)
where:
Base-Base interactions energy: -259.823
where: short stacking energy: -101.286
Base-Backbone interact. energy: -0.261
local terms energy: -101.158606
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -354.095463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.095463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.095463 (E_RNA)
where:
Base-Base interactions energy: -248.428
where: short stacking energy: -99.437
Base-Backbone interact. energy: 0.305
local terms energy: -105.972397
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -26.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -353.939420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.939420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.939420 (E_RNA)
where:
Base-Base interactions energy: -251.535
where: short stacking energy: -95.085
Base-Backbone interact. energy: -0.105
local terms energy: -102.299344
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -21.862
flat angles P-C4'-P energy: -18.604
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -334.228164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.228164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.228164 (E_RNA)
where:
Base-Base interactions energy: -240.107
where: short stacking energy: -88.944
Base-Backbone interact. energy: -0.276
local terms energy: -93.844865
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -16.162
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: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -338.676520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.676520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.676520 (E_RNA)
where:
Base-Base interactions energy: -242.778
where: short stacking energy: -92.648
Base-Backbone interact. energy: -0.016
local terms energy: -95.881960
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -24.072
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: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -329.137710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.137710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.137710 (E_RNA)
where:
Base-Base interactions energy: -231.023
where: short stacking energy: -86.460
Base-Backbone interact. energy: -0.161
local terms energy: -97.953753
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -25.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -301.989365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.989365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.989365 (E_RNA)
where:
Base-Base interactions energy: -211.119
where: short stacking energy: -89.328
Base-Backbone interact. energy: -0.878
local terms energy: -89.993190
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -21.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -191.533426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.533426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.533426 (E_RNA)
where:
Base-Base interactions energy: -111.455
where: short stacking energy: -56.363
Base-Backbone interact. energy: -0.203
local terms energy: -79.875328
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -109.549234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.549234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.549234 (E_RNA)
where:
Base-Base interactions energy: -47.931
where: short stacking energy: -45.444
Base-Backbone interact. energy: -0.440
local terms energy: -61.178123
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -104.746402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.746402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.746402 (E_RNA)
where:
Base-Base interactions energy: -34.736
where: short stacking energy: -23.228
Base-Backbone interact. energy: -0.391
local terms energy: -69.620002
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -356.980269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.980269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.980269 (E_RNA)
where:
Base-Base interactions energy: -255.335
where: short stacking energy: -100.864
Base-Backbone interact. energy: -0.957
local terms energy: -100.688414
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -27.549
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: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -350.103662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.103662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.103662 (E_RNA)
where:
Base-Base interactions energy: -248.784
where: short stacking energy: -98.379
Base-Backbone interact. energy: -0.057
local terms energy: -101.263189
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -26.555
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: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -351.458899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.458899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.458899 (E_RNA)
where:
Base-Base interactions energy: -243.866
where: short stacking energy: -108.818
Base-Backbone interact. energy: -1.188
local terms energy: -106.404953
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -27.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -341.757607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.757607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.757607 (E_RNA)
where:
Base-Base interactions energy: -238.471
where: short stacking energy: -82.993
Base-Backbone interact. energy: -1.615
local terms energy: -101.672247
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -23.345
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: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -330.573611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.573611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.573611 (E_RNA)
where:
Base-Base interactions energy: -240.300
where: short stacking energy: -93.111
Base-Backbone interact. energy: 0.817
local terms energy: -91.091105
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -22.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -328.248015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.248015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.248015 (E_RNA)
where:
Base-Base interactions energy: -235.936
where: short stacking energy: -83.268
Base-Backbone interact. energy: -0.067
local terms energy: -92.245254
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -20.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -301.538069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.538069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.538069 (E_RNA)
where:
Base-Base interactions energy: -216.085
where: short stacking energy: -87.150
Base-Backbone interact. energy: 0.311
local terms energy: -85.763823
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -20.076
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -180.010020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.010020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.010020 (E_RNA)
where:
Base-Base interactions energy: -106.689
where: short stacking energy: -48.750
Base-Backbone interact. energy: -0.169
local terms energy: -73.151755
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -12.557
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: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -115.408438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.408438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.408438 (E_RNA)
where:
Base-Base interactions energy: -37.955
where: short stacking energy: -34.004
Base-Backbone interact. energy: -0.033
local terms energy: -77.421010
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -105.493313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.493313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.493313 (E_RNA)
where:
Base-Base interactions energy: -47.069
where: short stacking energy: -28.200
Base-Backbone interact. energy: -0.233
local terms energy: -58.191904
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -3.943
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -363.398498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.398498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.398498 (E_RNA)
where:
Base-Base interactions energy: -263.135
where: short stacking energy: -97.880
Base-Backbone interact. energy: -0.433
local terms energy: -99.830307
where:
bonds (distance) C4'-P energy: -22.616
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -345.278795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.278795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.278795 (E_RNA)
where:
Base-Base interactions energy: -249.090
where: short stacking energy: -92.379
Base-Backbone interact. energy: -0.030
local terms energy: -96.158442
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -346.985118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.985118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.985118 (E_RNA)
where:
Base-Base interactions energy: -250.404
where: short stacking energy: -93.741
Base-Backbone interact. energy: -0.358
local terms energy: -96.222879
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -326.934370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.934370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.934370 (E_RNA)
where:
Base-Base interactions energy: -228.734
where: short stacking energy: -95.047
Base-Backbone interact. energy: -0.196
local terms energy: -98.004524
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -21.561
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -20.914
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: 413
Temperature: 1.100000
Total energy: -328.053697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.053697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.053697 (E_RNA)
where:
Base-Base interactions energy: -235.500
where: short stacking energy: -85.053
Base-Backbone interact. energy: 0.478
local terms energy: -93.031550
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -19.659
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -309.609205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.609205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.609205 (E_RNA)
where:
Base-Base interactions energy: -218.548
where: short stacking energy: -81.844
Base-Backbone interact. energy: -0.176
local terms energy: -90.884735
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -19.792
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -19.700
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: 4
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -323.869657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.869657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.869657 (E_RNA)
where:
Base-Base interactions energy: -229.058
where: short stacking energy: -89.128
Base-Backbone interact. energy: -0.052
local terms energy: -94.759334
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -24.127
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: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -195.094995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.094995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.094995 (E_RNA)
where:
Base-Base interactions energy: -121.097
where: short stacking energy: -62.562
Base-Backbone interact. energy: -0.252
local terms energy: -73.745927
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -110.121576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.121576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.121576 (E_RNA)
where:
Base-Base interactions energy: -47.567
where: short stacking energy: -43.351
Base-Backbone interact. energy: 0.181
local terms energy: -62.735230
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -1.639
tors. eta vs tors. theta energy: -9.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -113.395546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.395546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.395546 (E_RNA)
where:
Base-Base interactions energy: -61.565
where: short stacking energy: -42.007
Base-Backbone interact. energy: -0.220
local terms energy: -51.610799
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: 1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -361.301042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.301042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.301042 (E_RNA)
where:
Base-Base interactions energy: -260.314
where: short stacking energy: -101.734
Base-Backbone interact. energy: -0.093
local terms energy: -100.893380
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -355.538500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.538500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.538500 (E_RNA)
where:
Base-Base interactions energy: -255.856
where: short stacking energy: -92.501
Base-Backbone interact. energy: -1.154
local terms energy: -98.528976
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -348.940372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.940372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.940372 (E_RNA)
where:
Base-Base interactions energy: -251.877
where: short stacking energy: -90.646
Base-Backbone interact. energy: -0.105
local terms energy: -96.958330
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -21.874
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: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -332.403318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.403318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.403318 (E_RNA)
where:
Base-Base interactions energy: -241.125
where: short stacking energy: -95.872
Base-Backbone interact. energy: -0.142
local terms energy: -91.135902
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -25.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -299.562283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.562283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.562283 (E_RNA)
where:
Base-Base interactions energy: -206.706
where: short stacking energy: -88.410
Base-Backbone interact. energy: -0.583
local terms energy: -92.273815
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -18.757
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: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -321.510736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.510736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.510736 (E_RNA)
where:
Base-Base interactions energy: -230.251
where: short stacking energy: -81.213
Base-Backbone interact. energy: -1.164
local terms energy: -90.095499
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -321.253731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.253731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.253731 (E_RNA)
where:
Base-Base interactions energy: -226.172
where: short stacking energy: -93.043
Base-Backbone interact. energy: -0.007
local terms energy: -95.075351
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -22.778
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -25.493
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: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -205.305495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.305495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.305495 (E_RNA)
where:
Base-Base interactions energy: -125.290
where: short stacking energy: -67.366
Base-Backbone interact. energy: -0.236
local terms energy: -79.779459
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -124.517527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.517527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.517527 (E_RNA)
where:
Base-Base interactions energy: -56.205
where: short stacking energy: -35.274
Base-Backbone interact. energy: -0.049
local terms energy: -68.263968
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -12.426
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: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -117.536720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.536720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.536720 (E_RNA)
where:
Base-Base interactions energy: -52.233
where: short stacking energy: -47.572
Base-Backbone interact. energy: -0.177
local terms energy: -65.126191
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -355.279012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.279012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.279012 (E_RNA)
where:
Base-Base interactions energy: -253.993
where: short stacking energy: -89.203
Base-Backbone interact. energy: -0.368
local terms energy: -100.918585
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -22.835
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: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -352.667037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.667037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.667037 (E_RNA)
where:
Base-Base interactions energy: -249.559
where: short stacking energy: -97.006
Base-Backbone interact. energy: -0.175
local terms energy: -102.932943
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -23.589
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -25.897
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: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -339.396760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.396760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.396760 (E_RNA)
where:
Base-Base interactions energy: -243.868
where: short stacking energy: -94.518
Base-Backbone interact. energy: -0.247
local terms energy: -95.281884
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -23.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -335.924996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.924996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.924996 (E_RNA)
where:
Base-Base interactions energy: -243.161
where: short stacking energy: -90.163
Base-Backbone interact. energy: -0.199
local terms energy: -92.565235
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -316.108510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.108510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.108510 (E_RNA)
where:
Base-Base interactions energy: -230.886
where: short stacking energy: -91.962
Base-Backbone interact. energy: -1.560
local terms energy: -83.662972
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -20.991
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -22.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -317.068960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.068960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.068960 (E_RNA)
where:
Base-Base interactions energy: -227.150
where: short stacking energy: -82.741
Base-Backbone interact. energy: -0.271
local terms energy: -89.647482
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -20.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -313.152566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.152566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.152566 (E_RNA)
where:
Base-Base interactions energy: -235.109
where: short stacking energy: -87.340
Base-Backbone interact. energy: -0.371
local terms energy: -77.672593
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -215.001024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.001024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.001024 (E_RNA)
where:
Base-Base interactions energy: -143.196
where: short stacking energy: -70.564
Base-Backbone interact. energy: -0.831
local terms energy: -70.974293
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -20.809
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: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -108.248423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.248423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.248423 (E_RNA)
where:
Base-Base interactions energy: -39.719
where: short stacking energy: -30.264
Base-Backbone interact. energy: -3.383
local terms energy: -65.146941
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -99.335693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.335693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.335693 (E_RNA)
where:
Base-Base interactions energy: -35.000
where: short stacking energy: -33.630
Base-Backbone interact. energy: 3.000
local terms energy: -67.335241
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: 2.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -357.016411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.016411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.016411 (E_RNA)
where:
Base-Base interactions energy: -256.994
where: short stacking energy: -97.351
Base-Backbone interact. energy: -0.345
local terms energy: -99.676927
where:
bonds (distance) C4'-P energy: -22.733
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -23.617
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: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -342.297142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.297142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.297142 (E_RNA)
where:
Base-Base interactions energy: -237.416
where: short stacking energy: -101.790
Base-Backbone interact. energy: -0.058
local terms energy: -104.822730
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -24.536
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -25.049
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: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -348.347784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.347784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.347784 (E_RNA)
where:
Base-Base interactions energy: -248.398
where: short stacking energy: -94.819
Base-Backbone interact. energy: -0.119
local terms energy: -99.831464
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -25.529
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: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -340.874019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.874019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.874019 (E_RNA)
where:
Base-Base interactions energy: -235.738
where: short stacking energy: -97.521
Base-Backbone interact. energy: -0.099
local terms energy: -105.037105
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -30.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -337.671966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.671966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.671966 (E_RNA)
where:
Base-Base interactions energy: -248.716
where: short stacking energy: -86.787
Base-Backbone interact. energy: -0.612
local terms energy: -88.343913
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -18.939
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: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -281.942681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.942681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.942681 (E_RNA)
where:
Base-Base interactions energy: -189.970
where: short stacking energy: -81.917
Base-Backbone interact. energy: -1.490
local terms energy: -90.482651
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -310.177687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.177687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.177687 (E_RNA)
where:
Base-Base interactions energy: -221.006
where: short stacking energy: -89.612
Base-Backbone interact. energy: -0.652
local terms energy: -88.520103
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -24.303
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: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -206.955836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.955836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.955836 (E_RNA)
where:
Base-Base interactions energy: -131.811
where: short stacking energy: -61.115
Base-Backbone interact. energy: -0.381
local terms energy: -74.764452
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -14.013
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: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -126.553985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.553985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.553985 (E_RNA)
where:
Base-Base interactions energy: -66.767
where: short stacking energy: -43.595
Base-Backbone interact. energy: -1.521
local terms energy: -58.265964
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: 1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -101.576576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.576576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.576576 (E_RNA)
where:
Base-Base interactions energy: -37.739
where: short stacking energy: -32.563
Base-Backbone interact. energy: 1.466
local terms energy: -65.303689
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -14.368
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: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -360.502110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.502110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.502110 (E_RNA)
where:
Base-Base interactions energy: -250.170
where: short stacking energy: -95.606
Base-Backbone interact. energy: -0.103
local terms energy: -110.228702
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -20.304
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -17.545
tors. eta vs tors. theta energy: -24.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -360.621495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.621495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.621495 (E_RNA)
where:
Base-Base interactions energy: -246.222
where: short stacking energy: -104.455
Base-Backbone interact. energy: -0.166
local terms energy: -114.233041
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -28.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -349.263621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.263621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.263621 (E_RNA)
where:
Base-Base interactions energy: -245.903
where: short stacking energy: -93.382
Base-Backbone interact. energy: -0.081
local terms energy: -103.279574
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -26.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -342.623719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.623719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.623719 (E_RNA)
where:
Base-Base interactions energy: -240.343
where: short stacking energy: -92.490
Base-Backbone interact. energy: -0.209
local terms energy: -102.071952
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -22.671
flat angles P-C4'-P energy: -16.418
tors. eta vs tors. theta energy: -19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -344.507058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.507058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.507058 (E_RNA)
where:
Base-Base interactions energy: -243.927
where: short stacking energy: -94.213
Base-Backbone interact. energy: 1.674
local terms energy: -102.253348
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -29.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -319.194013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.194013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.194013 (E_RNA)
where:
Base-Base interactions energy: -220.108
where: short stacking energy: -73.005
Base-Backbone interact. energy: -0.616
local terms energy: -98.470153
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -20.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -278.066830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.066830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.066830 (E_RNA)
where:
Base-Base interactions energy: -198.911
where: short stacking energy: -82.306
Base-Backbone interact. energy: 1.787
local terms energy: -80.942918
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -15.678
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: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -203.918527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.918527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.918527 (E_RNA)
where:
Base-Base interactions energy: -134.790
where: short stacking energy: -70.892
Base-Backbone interact. energy: 1.040
local terms energy: -70.168600
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -6.204
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: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -120.098142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.098142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.098142 (E_RNA)
where:
Base-Base interactions energy: -52.220
where: short stacking energy: -37.022
Base-Backbone interact. energy: -0.019
local terms energy: -67.858918
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -97.047718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.047718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.047718 (E_RNA)
where:
Base-Base interactions energy: -36.238
where: short stacking energy: -35.547
Base-Backbone interact. energy: -0.469
local terms energy: -60.340501
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -348.852015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.852015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.852015 (E_RNA)
where:
Base-Base interactions energy: -241.978
where: short stacking energy: -98.875
Base-Backbone interact. energy: -0.033
local terms energy: -106.840995
where:
bonds (distance) C4'-P energy: -23.523
bonds (distance) P-C4' energy: -22.454
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -25.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -357.494532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.494532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.494532 (E_RNA)
where:
Base-Base interactions energy: -254.172
where: short stacking energy: -100.945
Base-Backbone interact. energy: -0.080
local terms energy: -103.242239
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -24.516
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: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -356.208199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.208199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.208199 (E_RNA)
where:
Base-Base interactions energy: -255.417
where: short stacking energy: -91.661
Base-Backbone interact. energy: -1.449
local terms energy: -99.341879
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -22.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -330.434821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.434821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.434821 (E_RNA)
where:
Base-Base interactions energy: -227.983
where: short stacking energy: -91.367
Base-Backbone interact. energy: -0.449
local terms energy: -102.002661
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -28.261
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: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -341.609330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.609330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.609330 (E_RNA)
where:
Base-Base interactions energy: -242.045
where: short stacking energy: -107.385
Base-Backbone interact. energy: -0.159
local terms energy: -99.405365
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -26.394
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: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -335.332929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.332929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.332929 (E_RNA)
where:
Base-Base interactions energy: -244.306
where: short stacking energy: -103.900
Base-Backbone interact. energy: 1.314
local terms energy: -92.340599
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -26.632
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: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -276.481043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.481043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.481043 (E_RNA)
where:
Base-Base interactions energy: -194.816
where: short stacking energy: -79.578
Base-Backbone interact. energy: -0.532
local terms energy: -81.132443
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -13.923
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: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -205.408769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.408769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.408769 (E_RNA)
where:
Base-Base interactions energy: -117.711
where: short stacking energy: -62.813
Base-Backbone interact. energy: -1.053
local terms energy: -86.644713
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -10.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -110.018520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.018520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.018520 (E_RNA)
where:
Base-Base interactions energy: -42.732
where: short stacking energy: -40.704
Base-Backbone interact. energy: -0.604
local terms energy: -66.682835
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -94.769792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.769792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.769792 (E_RNA)
where:
Base-Base interactions energy: -38.447
where: short stacking energy: -35.537
Base-Backbone interact. energy: -0.272
local terms energy: -56.051088
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -344.879478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.879478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.879478 (E_RNA)
where:
Base-Base interactions energy: -240.040
where: short stacking energy: -103.921
Base-Backbone interact. energy: -0.009
local terms energy: -104.830165
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -25.751
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -27.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -355.109100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.109100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.109100 (E_RNA)
where:
Base-Base interactions energy: -248.056
where: short stacking energy: -89.880
Base-Backbone interact. energy: -0.210
local terms energy: -106.842895
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: -22.368
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: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -352.341383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.341383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.341383 (E_RNA)
where:
Base-Base interactions energy: -244.350
where: short stacking energy: -91.914
Base-Backbone interact. energy: -1.497
local terms energy: -106.494567
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -25.470
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: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -344.320180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.320180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.320180 (E_RNA)
where:
Base-Base interactions energy: -247.374
where: short stacking energy: -98.923
Base-Backbone interact. energy: -0.012
local terms energy: -96.934673
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -26.968
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: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -341.432226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.432226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.432226 (E_RNA)
where:
Base-Base interactions energy: -236.279
where: short stacking energy: -104.567
Base-Backbone interact. energy: -0.465
local terms energy: -104.688730
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -21.684
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -17.788
tors. eta vs tors. theta energy: -25.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -290.276244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.276244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.276244 (E_RNA)
where:
Base-Base interactions energy: -203.546
where: short stacking energy: -90.106
Base-Backbone interact. energy: -0.162
local terms energy: -86.568556
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -23.863
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -19.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -320.498884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.498884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.498884 (E_RNA)
where:
Base-Base interactions energy: -228.222
where: short stacking energy: -90.494
Base-Backbone interact. energy: -0.145
local terms energy: -92.131924
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -23.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -216.086134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.086134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.086134 (E_RNA)
where:
Base-Base interactions energy: -135.216
where: short stacking energy: -66.874
Base-Backbone interact. energy: -0.176
local terms energy: -80.694044
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -19.664
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: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -118.033439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.033439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.033439 (E_RNA)
where:
Base-Base interactions energy: -52.265
where: short stacking energy: -50.556
Base-Backbone interact. energy: -0.228
local terms energy: -65.540343
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -96.191197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.191197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.191197 (E_RNA)
where:
Base-Base interactions energy: -43.501
where: short stacking energy: -31.148
Base-Backbone interact. energy: -0.088
local terms energy: -52.603094
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: 1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -355.173200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.173200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.173200 (E_RNA)
where:
Base-Base interactions energy: -257.242
where: short stacking energy: -100.232
Base-Backbone interact. energy: -0.234
local terms energy: -97.697428
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -24.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -346.752847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.752847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.752847 (E_RNA)
where:
Base-Base interactions energy: -247.232
where: short stacking energy: -102.447
Base-Backbone interact. energy: -0.046
local terms energy: -99.474436
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -21.104
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -27.597
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: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -349.779936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.779936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.779936 (E_RNA)
where:
Base-Base interactions energy: -250.134
where: short stacking energy: -95.702
Base-Backbone interact. energy: -0.395
local terms energy: -99.251095
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -15.600
tors. eta vs tors. theta energy: -26.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -341.236768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.236768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.236768 (E_RNA)
where:
Base-Base interactions energy: -250.909
where: short stacking energy: -92.436
Base-Backbone interact. energy: -0.127
local terms energy: -90.200124
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -21.991
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: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -334.507664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.507664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.507664 (E_RNA)
where:
Base-Base interactions energy: -241.453
where: short stacking energy: -97.057
Base-Backbone interact. energy: -0.012
local terms energy: -93.042134
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -25.729
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: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -292.669395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.669395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.669395 (E_RNA)
where:
Base-Base interactions energy: -194.778
where: short stacking energy: -83.081
Base-Backbone interact. energy: -0.479
local terms energy: -97.412331
where:
bonds (distance) C4'-P energy: -22.870
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -22.293
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: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -316.724357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.724357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.724357 (E_RNA)
where:
Base-Base interactions energy: -217.994
where: short stacking energy: -80.304
Base-Backbone interact. energy: -0.961
local terms energy: -97.769941
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -16.921
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: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -188.391580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.391580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.391580 (E_RNA)
where:
Base-Base interactions energy: -113.306
where: short stacking energy: -53.878
Base-Backbone interact. energy: 1.030
local terms energy: -76.115364
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -12.038
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: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -116.017657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.017657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.017657 (E_RNA)
where:
Base-Base interactions energy: -43.135
where: short stacking energy: -30.888
Base-Backbone interact. energy: -0.288
local terms energy: -72.595418
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -12.518
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: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -109.633186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.633186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.633186 (E_RNA)
where:
Base-Base interactions energy: -38.676
where: short stacking energy: -34.681
Base-Backbone interact. energy: -0.466
local terms energy: -70.491359
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -6.514
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: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -352.794530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.794530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.794530 (E_RNA)
where:
Base-Base interactions energy: -253.409
where: short stacking energy: -95.497
Base-Backbone interact. energy: -0.115
local terms energy: -99.270082
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -24.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -357.472285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.472285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.472285 (E_RNA)
where:
Base-Base interactions energy: -251.549
where: short stacking energy: -95.655
Base-Backbone interact. energy: -0.191
local terms energy: -105.732059
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -26.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -333.605617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.605617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.605617 (E_RNA)
where:
Base-Base interactions energy: -237.186
where: short stacking energy: -99.430
Base-Backbone interact. energy: -0.338
local terms energy: -96.081423
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -27.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -336.098581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.098581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.098581 (E_RNA)
where:
Base-Base interactions energy: -227.227
where: short stacking energy: -93.627
Base-Backbone interact. energy: -0.068
local terms energy: -108.804333
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -26.935
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: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -325.686950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.686950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.686950 (E_RNA)
where:
Base-Base interactions energy: -233.094
where: short stacking energy: -88.188
Base-Backbone interact. energy: -0.287
local terms energy: -92.305437
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -319.178184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.178184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.178184 (E_RNA)
where:
Base-Base interactions energy: -236.188
where: short stacking energy: -89.460
Base-Backbone interact. energy: -0.275
local terms energy: -82.715660
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -291.266176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.266176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.266176 (E_RNA)
where:
Base-Base interactions energy: -205.242
where: short stacking energy: -78.743
Base-Backbone interact. energy: 0.503
local terms energy: -86.527154
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -22.518
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: 421
Temperature: 1.250000
Total energy: -119.534974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.534974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.534974 (E_RNA)
where:
Base-Base interactions energy: -45.595
where: short stacking energy: -40.742
Base-Backbone interact. energy: 2.273
local terms energy: -76.212986
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -200.193332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.193332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.193332 (E_RNA)
where:
Base-Base interactions energy: -118.083
where: short stacking energy: -69.175
Base-Backbone interact. energy: -0.002
local terms energy: -82.108342
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -19.552
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: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -103.014002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.014002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.014002 (E_RNA)
where:
Base-Base interactions energy: -42.157
where: short stacking energy: -42.157
Base-Backbone interact. energy: -0.087
local terms energy: -60.770014
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -358.866112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.866112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.866112 (E_RNA)
where:
Base-Base interactions energy: -255.072
where: short stacking energy: -90.883
Base-Backbone interact. energy: -0.105
local terms energy: -103.689840
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -23.021
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -21.950
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: 1
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -353.615007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.615007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.615007 (E_RNA)
where:
Base-Base interactions energy: -252.892
where: short stacking energy: -99.345
Base-Backbone interact. energy: -0.370
local terms energy: -100.353460
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -27.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -332.019093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.019093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.019093 (E_RNA)
where:
Base-Base interactions energy: -240.659
where: short stacking energy: -104.016
Base-Backbone interact. energy: -0.003
local terms energy: -91.357163
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -337.244802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.244802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.244802 (E_RNA)
where:
Base-Base interactions energy: -232.172
where: short stacking energy: -91.402
Base-Backbone interact. energy: -0.822
local terms energy: -104.250926
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -27.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -341.085039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.085039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.085039 (E_RNA)
where:
Base-Base interactions energy: -248.066
where: short stacking energy: -88.774
Base-Backbone interact. energy: -0.875
local terms energy: -92.144915
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -22.977
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: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -327.854994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.854994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.854994 (E_RNA)
where:
Base-Base interactions energy: -223.704
where: short stacking energy: -95.249
Base-Backbone interact. energy: -0.008
local terms energy: -104.143036
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -25.585
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: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -304.026308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.026308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.026308 (E_RNA)
where:
Base-Base interactions energy: -211.343
where: short stacking energy: -97.521
Base-Backbone interact. energy: 0.152
local terms energy: -92.835477
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -22.079
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: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -111.547285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.547285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.547285 (E_RNA)
where:
Base-Base interactions energy: -42.828
where: short stacking energy: -33.475
Base-Backbone interact. energy: -0.532
local terms energy: -68.187563
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -195.124210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.124210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.124210 (E_RNA)
where:
Base-Base interactions energy: -124.051
where: short stacking energy: -57.012
Base-Backbone interact. energy: -0.079
local terms energy: -70.993769
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -4.695
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: 10, replica: 3
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -106.537610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.537610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.537610 (E_RNA)
where:
Base-Base interactions energy: -34.518
where: short stacking energy: -29.564
Base-Backbone interact. energy: -0.399
local terms energy: -71.621010
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -22.606
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -350.819836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.819836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.819836 (E_RNA)
where:
Base-Base interactions energy: -253.279
where: short stacking energy: -102.115
Base-Backbone interact. energy: 1.125
local terms energy: -98.665258
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -22.826
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -22.555
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: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -348.277656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.277656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.277656 (E_RNA)
where:
Base-Base interactions energy: -247.752
where: short stacking energy: -98.068
Base-Backbone interact. energy: -0.100
local terms energy: -100.425492
where:
bonds (distance) C4'-P energy: -21.325
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -17.974
tors. eta vs tors. theta energy: -25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -327.670829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.670829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.670829 (E_RNA)
where:
Base-Base interactions energy: -230.159
where: short stacking energy: -98.415
Base-Backbone interact. energy: -0.144
local terms energy: -97.367840
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -25.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -342.113000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.113000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.113000 (E_RNA)
where:
Base-Base interactions energy: -251.445
where: short stacking energy: -98.694
Base-Backbone interact. energy: -0.593
local terms energy: -90.074497
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -21.591
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -26.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -337.406509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.406509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.406509 (E_RNA)
where:
Base-Base interactions energy: -231.593
where: short stacking energy: -105.223
Base-Backbone interact. energy: -0.059
local terms energy: -105.754974
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -21.526
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -31.090
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: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -330.534117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.534117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.534117 (E_RNA)
where:
Base-Base interactions energy: -237.049
where: short stacking energy: -99.429
Base-Backbone interact. energy: -0.964
local terms energy: -92.521360
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -21.424
flat angles P-C4'-P energy: -14.626
tors. eta vs tors. theta energy: -24.786
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: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -261.999744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.999744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.999744 (E_RNA)
where:
Base-Base interactions energy: -183.128
where: short stacking energy: -90.947
Base-Backbone interact. energy: -0.077
local terms energy: -78.794870
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -8.747
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: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -201.015923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.015923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.015923 (E_RNA)
where:
Base-Base interactions energy: -127.643
where: short stacking energy: -52.537
Base-Backbone interact. energy: -0.308
local terms energy: -73.064812
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -11.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -120.987704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.987704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.987704 (E_RNA)
where:
Base-Base interactions energy: -54.238
where: short stacking energy: -48.250
Base-Backbone interact. energy: -0.061
local terms energy: -66.688763
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -8.221
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: 10, replica: 3
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -105.475267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.475267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.475267 (E_RNA)
where:
Base-Base interactions energy: -37.168
where: short stacking energy: -37.168
Base-Backbone interact. energy: -0.908
local terms energy: -67.400006
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -358.106857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.106857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.106857 (E_RNA)
where:
Base-Base interactions energy: -258.364
where: short stacking energy: -98.115
Base-Backbone interact. energy: -0.364
local terms energy: -99.378936
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -20.600
flat angles C4'-P-C4' energy: -24.217
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -24.012
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: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -356.360295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.360295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.360295 (E_RNA)
where:
Base-Base interactions energy: -253.003
where: short stacking energy: -99.660
Base-Backbone interact. energy: -0.341
local terms energy: -103.015824
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -24.152
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: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -343.520601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.520601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.520601 (E_RNA)
where:
Base-Base interactions energy: -244.530
where: short stacking energy: -92.533
Base-Backbone interact. energy: -0.127
local terms energy: -98.863634
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -16.521
tors. eta vs tors. theta energy: -24.593
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: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -330.929373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.929373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.929373 (E_RNA)
where:
Base-Base interactions energy: -244.031
where: short stacking energy: -85.353
Base-Backbone interact. energy: -0.194
local terms energy: -86.704136
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -342.167852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.167852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.167852 (E_RNA)
where:
Base-Base interactions energy: -249.844
where: short stacking energy: -91.755
Base-Backbone interact. energy: -0.046
local terms energy: -92.278283
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -324.001300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.001300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.001300 (E_RNA)
where:
Base-Base interactions energy: -217.374
where: short stacking energy: -87.648
Base-Backbone interact. energy: -2.319
local terms energy: -104.308903
where:
bonds (distance) C4'-P energy: -22.742
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -19.205
tors. eta vs tors. theta energy: -24.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -234.300314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.300314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.300314 (E_RNA)
where:
Base-Base interactions energy: -151.718
where: short stacking energy: -73.669
Base-Backbone interact. energy: 0.831
local terms energy: -83.413695
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -20.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -211.882265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.882265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.882265 (E_RNA)
where:
Base-Base interactions energy: -137.053
where: short stacking energy: -74.236
Base-Backbone interact. energy: -1.636
local terms energy: -73.193482
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -9.618
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: 9, replica: 3
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -109.005693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.005693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.005693 (E_RNA)
where:
Base-Base interactions energy: -42.535
where: short stacking energy: -42.535
Base-Backbone interact. energy: -0.167
local terms energy: -66.303711
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -11.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -110.576559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.576559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.576559 (E_RNA)
where:
Base-Base interactions energy: -45.571
where: short stacking energy: -20.259
Base-Backbone interact. energy: -0.374
local terms energy: -64.631094
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: 4.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -355.300581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.300581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.300581 (E_RNA)
where:
Base-Base interactions energy: -247.114
where: short stacking energy: -89.251
Base-Backbone interact. energy: -0.197
local terms energy: -107.989708
where:
bonds (distance) C4'-P energy: -20.765
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -25.374
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -353.525755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.525755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.525755 (E_RNA)
where:
Base-Base interactions energy: -254.399
where: short stacking energy: -99.472
Base-Backbone interact. energy: -0.515
local terms energy: -98.611931
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -23.260
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: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -342.307601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.307601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.307601 (E_RNA)
where:
Base-Base interactions energy: -242.235
where: short stacking energy: -90.247
Base-Backbone interact. energy: -0.059
local terms energy: -100.013771
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -337.941178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.941178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.941178 (E_RNA)
where:
Base-Base interactions energy: -244.828
where: short stacking energy: -101.784
Base-Backbone interact. energy: -0.016
local terms energy: -93.097449
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -26.080
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: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -347.509107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.509107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.509107 (E_RNA)
where:
Base-Base interactions energy: -246.504
where: short stacking energy: -98.127
Base-Backbone interact. energy: -1.733
local terms energy: -99.271604
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -26.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -335.426474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.426474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.426474 (E_RNA)
where:
Base-Base interactions energy: -249.087
where: short stacking energy: -98.599
Base-Backbone interact. energy: -0.077
local terms energy: -86.262423
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -21.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -261.788189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.788189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.788189 (E_RNA)
where:
Base-Base interactions energy: -185.189
where: short stacking energy: -71.080
Base-Backbone interact. energy: -0.908
local terms energy: -75.690983
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -17.591
tors. eta vs tors. theta energy: -15.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -195.464437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.464437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.464437 (E_RNA)
where:
Base-Base interactions energy: -122.598
where: short stacking energy: -59.311
Base-Backbone interact. energy: 2.423
local terms energy: -75.288914
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -101.611871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.611871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.611871 (E_RNA)
where:
Base-Base interactions energy: -39.030
where: short stacking energy: -32.925
Base-Backbone interact. energy: -0.435
local terms energy: -62.146710
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: 2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -144.256911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.256911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.256911 (E_RNA)
where:
Base-Base interactions energy: -87.696
where: short stacking energy: -58.956
Base-Backbone interact. energy: -0.143
local terms energy: -56.417901
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -353.324711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.324711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.324711 (E_RNA)
where:
Base-Base interactions energy: -250.235
where: short stacking energy: -92.382
Base-Backbone interact. energy: -0.380
local terms energy: -102.710041
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -18.651
tors. eta vs tors. theta energy: -25.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -349.991244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.991244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.991244 (E_RNA)
where:
Base-Base interactions energy: -253.045
where: short stacking energy: -96.157
Base-Backbone interact. energy: 2.271
local terms energy: -99.217064
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -23.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -341.659073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.659073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.659073 (E_RNA)
where:
Base-Base interactions energy: -240.971
where: short stacking energy: -104.813
Base-Backbone interact. energy: -1.050
local terms energy: -99.638263
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -26.337
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: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -335.028526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.028526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.028526 (E_RNA)
where:
Base-Base interactions energy: -237.814
where: short stacking energy: -96.330
Base-Backbone interact. energy: -0.157
local terms energy: -97.057608
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -21.879
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: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -338.369648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.369648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.369648 (E_RNA)
where:
Base-Base interactions energy: -241.916
where: short stacking energy: -94.048
Base-Backbone interact. energy: -0.112
local terms energy: -96.341726
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -19.211
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -22.398
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: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -330.482469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.482469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.482469 (E_RNA)
where:
Base-Base interactions energy: -229.450
where: short stacking energy: -102.765
Base-Backbone interact. energy: -0.054
local terms energy: -100.978564
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -23.484
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -29.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -244.096501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.096501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.096501 (E_RNA)
where:
Base-Base interactions energy: -180.661
where: short stacking energy: -59.512
Base-Backbone interact. energy: -1.071
local terms energy: -62.365043
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -219.210044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.210044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.210044 (E_RNA)
where:
Base-Base interactions energy: -127.426
where: short stacking energy: -65.821
Base-Backbone interact. energy: -0.166
local terms energy: -91.618441
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -107.085459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.085459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.085459 (E_RNA)
where:
Base-Base interactions energy: -52.662
where: short stacking energy: -44.114
Base-Backbone interact. energy: 0.547
local terms energy: -54.970451
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -144.375697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.375697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.375697 (E_RNA)
where:
Base-Base interactions energy: -82.261
where: short stacking energy: -42.089
Base-Backbone interact. energy: -0.084
local terms energy: -62.030148
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -352.673434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.673434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.673434 (E_RNA)
where:
Base-Base interactions energy: -251.210
where: short stacking energy: -95.453
Base-Backbone interact. energy: -0.136
local terms energy: -101.327689
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -17.132
tors. eta vs tors. theta energy: -26.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -340.822150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.822150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.822150 (E_RNA)
where:
Base-Base interactions energy: -240.933
where: short stacking energy: -89.707
Base-Backbone interact. energy: -0.172
local terms energy: -99.717629
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -22.934
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: 6
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -342.787806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.787806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.787806 (E_RNA)
where:
Base-Base interactions energy: -253.102
where: short stacking energy: -90.694
Base-Backbone interact. energy: -1.032
local terms energy: -88.653704
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -18.398
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: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -346.283643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.283643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.283643 (E_RNA)
where:
Base-Base interactions energy: -239.433
where: short stacking energy: -92.416
Base-Backbone interact. energy: -0.089
local terms energy: -106.761766
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -23.156
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -17.975
tors. eta vs tors. theta energy: -24.225
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: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -341.591058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.591058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.591058 (E_RNA)
where:
Base-Base interactions energy: -247.938
where: short stacking energy: -91.127
Base-Backbone interact. energy: -0.040
local terms energy: -93.613026
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -22.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -333.026984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.026984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.026984 (E_RNA)
where:
Base-Base interactions energy: -234.352
where: short stacking energy: -97.795
Base-Backbone interact. energy: -0.767
local terms energy: -97.907734
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -30.499
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: 427
Temperature: 1.200000
Total energy: -298.136346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.136346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.136346 (E_RNA)
where:
Base-Base interactions energy: -197.075
where: short stacking energy: -79.461
Base-Backbone interact. energy: 0.736
local terms energy: -101.797295
where:
bonds (distance) C4'-P energy: -22.919
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -158.591710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.591710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.591710 (E_RNA)
where:
Base-Base interactions energy: -95.558
where: short stacking energy: -49.683
Base-Backbone interact. energy: -0.055
local terms energy: -62.978745
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -191.377891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.377891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.377891 (E_RNA)
where:
Base-Base interactions energy: -116.744
where: short stacking energy: -48.819
Base-Backbone interact. energy: 1.939
local terms energy: -76.573242
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -24.325
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -8.935
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: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -170.017961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.017961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.017961 (E_RNA)
where:
Base-Base interactions energy: -107.192
where: short stacking energy: -53.901
Base-Backbone interact. energy: -0.504
local terms energy: -62.321993
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -351.695838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.695838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.695838 (E_RNA)
where:
Base-Base interactions energy: -250.152
where: short stacking energy: -99.482
Base-Backbone interact. energy: -0.057
local terms energy: -101.487359
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -345.950572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.950572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.950572 (E_RNA)
where:
Base-Base interactions energy: -242.175
where: short stacking energy: -97.530
Base-Backbone interact. energy: 1.657
local terms energy: -105.432876
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -23.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -351.853954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.853954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.853954 (E_RNA)
where:
Base-Base interactions energy: -257.652
where: short stacking energy: -94.840
Base-Backbone interact. energy: -0.477
local terms energy: -93.724505
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -344.742968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.742968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.742968 (E_RNA)
where:
Base-Base interactions energy: -244.833
where: short stacking energy: -96.079
Base-Backbone interact. energy: -1.105
local terms energy: -98.804439
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -25.649
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: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -316.360928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.360928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.360928 (E_RNA)
where:
Base-Base interactions energy: -225.920
where: short stacking energy: -80.033
Base-Backbone interact. energy: -0.184
local terms energy: -90.257173
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -19.718
tors. eta vs tors. theta energy: -18.413
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: 428
Temperature: 1.150000
Total energy: -324.199763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.199763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.199763 (E_RNA)
where:
Base-Base interactions energy: -224.622
where: short stacking energy: -91.224
Base-Backbone interact. energy: -0.194
local terms energy: -99.383584
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -297.315904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.315904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.315904 (E_RNA)
where:
Base-Base interactions energy: -214.242
where: short stacking energy: -84.860
Base-Backbone interact. energy: -0.569
local terms energy: -82.505102
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -9.730
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -21.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -112.747315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.747315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.747315 (E_RNA)
where:
Base-Base interactions energy: -54.469
where: short stacking energy: -32.784
Base-Backbone interact. energy: -0.762
local terms energy: -57.516147
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: 1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -191.066906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.066906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.066906 (E_RNA)
where:
Base-Base interactions energy: -127.159
where: short stacking energy: -48.636
Base-Backbone interact. energy: 0.021
local terms energy: -63.928735
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -9.408
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: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -186.559675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.559675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.559675 (E_RNA)
where:
Base-Base interactions energy: -114.679
where: short stacking energy: -57.868
Base-Backbone interact. energy: 1.662
local terms energy: -73.542030
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -10.181
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -14.337
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: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -353.462029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.462029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.462029 (E_RNA)
where:
Base-Base interactions energy: -248.747
where: short stacking energy: -90.238
Base-Backbone interact. energy: -0.135
local terms energy: -104.580727
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -22.509
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: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -347.637895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.637895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.637895 (E_RNA)
where:
Base-Base interactions energy: -254.420
where: short stacking energy: -94.812
Base-Backbone interact. energy: -0.317
local terms energy: -92.900789
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -23.110
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -343.635196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.635196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.635196 (E_RNA)
where:
Base-Base interactions energy: -242.532
where: short stacking energy: -88.028
Base-Backbone interact. energy: -0.807
local terms energy: -100.295805
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -350.360395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.360395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.360395 (E_RNA)
where:
Base-Base interactions energy: -251.092
where: short stacking energy: -96.044
Base-Backbone interact. energy: -0.102
local terms energy: -99.166274
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -26.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -337.705381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.705381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.705381 (E_RNA)
where:
Base-Base interactions energy: -239.811
where: short stacking energy: -84.301
Base-Backbone interact. energy: -0.535
local terms energy: -97.359230
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -23.993
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: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -314.987208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.987208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.987208 (E_RNA)
where:
Base-Base interactions energy: -221.679
where: short stacking energy: -84.792
Base-Backbone interact. energy: -0.093
local terms energy: -93.215121
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -22.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -302.501057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.501057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.501057 (E_RNA)
where:
Base-Base interactions energy: -223.007
where: short stacking energy: -92.334
Base-Backbone interact. energy: -0.397
local terms energy: -79.096517
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -203.292992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.292992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.292992 (E_RNA)
where:
Base-Base interactions energy: -124.901
where: short stacking energy: -51.170
Base-Backbone interact. energy: -0.303
local terms energy: -78.088810
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -119.049516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.049516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.049516 (E_RNA)
where:
Base-Base interactions energy: -44.925
where: short stacking energy: -37.240
Base-Backbone interact. energy: -0.406
local terms energy: -73.718083
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -9.277
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: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -178.469855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.469855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.469855 (E_RNA)
where:
Base-Base interactions energy: -104.150
where: short stacking energy: -44.410
Base-Backbone interact. energy: -0.146
local terms energy: -74.173135
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -351.195960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.195960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.195960 (E_RNA)
where:
Base-Base interactions energy: -253.806
where: short stacking energy: -93.421
Base-Backbone interact. energy: -0.180
local terms energy: -97.210121
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -346.102506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.102506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.102506 (E_RNA)
where:
Base-Base interactions energy: -247.139
where: short stacking energy: -94.926
Base-Backbone interact. energy: -0.126
local terms energy: -98.838131
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -347.796105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.796105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.796105 (E_RNA)
where:
Base-Base interactions energy: -232.216
where: short stacking energy: -96.194
Base-Backbone interact. energy: -0.003
local terms energy: -115.576692
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: -29.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -341.527027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.527027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.527027 (E_RNA)
where:
Base-Base interactions energy: -235.375
where: short stacking energy: -90.807
Base-Backbone interact. energy: -0.217
local terms energy: -105.935453
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -22.593
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -25.574
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: 430
Temperature: 1.100000
Total energy: -345.219338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.219338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.219338 (E_RNA)
where:
Base-Base interactions energy: -243.899
where: short stacking energy: -90.783
Base-Backbone interact. energy: -0.893
local terms energy: -100.426862
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -26.068
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: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -321.684464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.684464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.684464 (E_RNA)
where:
Base-Base interactions energy: -225.429
where: short stacking energy: -89.364
Base-Backbone interact. energy: -0.341
local terms energy: -95.913921
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -24.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -296.945364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.945364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.945364 (E_RNA)
where:
Base-Base interactions energy: -212.007
where: short stacking energy: -70.843
Base-Backbone interact. energy: 0.117
local terms energy: -85.054716
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -16.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -208.766947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.766947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.766947 (E_RNA)
where:
Base-Base interactions energy: -127.236
where: short stacking energy: -66.049
Base-Backbone interact. energy: -0.370
local terms energy: -81.160283
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -8.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -113.503359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.503359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.503359 (E_RNA)
where:
Base-Base interactions energy: -48.061
where: short stacking energy: -36.488
Base-Backbone interact. energy: -1.032
local terms energy: -64.411289
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -99.851804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.851804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.851804 (E_RNA)
where:
Base-Base interactions energy: -45.160
where: short stacking energy: -35.836
Base-Backbone interact. energy: -0.759
local terms energy: -53.933559
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -2.082
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -347.925259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.925259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.925259 (E_RNA)
where:
Base-Base interactions energy: -241.954
where: short stacking energy: -101.285
Base-Backbone interact. energy: -0.294
local terms energy: -105.677284
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -23.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -346.773224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.773224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.773224 (E_RNA)
where:
Base-Base interactions energy: -244.293
where: short stacking energy: -95.736
Base-Backbone interact. energy: -0.036
local terms energy: -102.444375
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -27.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -334.494383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.494383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.494383 (E_RNA)
where:
Base-Base interactions energy: -235.625
where: short stacking energy: -99.226
Base-Backbone interact. energy: -0.004
local terms energy: -98.864956
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -22.443
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -27.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -330.289082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.289082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.289082 (E_RNA)
where:
Base-Base interactions energy: -228.964
where: short stacking energy: -90.779
Base-Backbone interact. energy: -0.338
local terms energy: -100.987086
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -26.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -339.983417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.983417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.983417 (E_RNA)
where:
Base-Base interactions energy: -249.185
where: short stacking energy: -86.005
Base-Backbone interact. energy: -0.276
local terms energy: -90.522325
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -24.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -310.567343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.567343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.567343 (E_RNA)
where:
Base-Base interactions energy: -214.323
where: short stacking energy: -91.720
Base-Backbone interact. energy: -0.102
local terms energy: -96.142869
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -19.609
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -27.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -320.802096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.802096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.802096 (E_RNA)
where:
Base-Base interactions energy: -234.066
where: short stacking energy: -88.437
Base-Backbone interact. energy: 3.834
local terms energy: -90.570640
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -198.234814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.234814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.234814 (E_RNA)
where:
Base-Base interactions energy: -114.669
where: short stacking energy: -51.450
Base-Backbone interact. energy: -0.708
local terms energy: -82.857132
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -8.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -151.745595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.745595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.745595 (E_RNA)
where:
Base-Base interactions energy: -75.081
where: short stacking energy: -45.113
Base-Backbone interact. energy: -0.726
local terms energy: -75.938607
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -8.866
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: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -109.636213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.636213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.636213 (E_RNA)
where:
Base-Base interactions energy: -48.491
where: short stacking energy: -37.046
Base-Backbone interact. energy: -0.317
local terms energy: -60.828083
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -3.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -345.617062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.617062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.617062 (E_RNA)
where:
Base-Base interactions energy: -247.284
where: short stacking energy: -95.333
Base-Backbone interact. energy: -0.008
local terms energy: -98.325208
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -24.399
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: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -348.590616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.590616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.590616 (E_RNA)
where:
Base-Base interactions energy: -243.004
where: short stacking energy: -104.423
Base-Backbone interact. energy: -0.095
local terms energy: -105.491230
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -26.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -347.238308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.238308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.238308 (E_RNA)
where:
Base-Base interactions energy: -249.576
where: short stacking energy: -101.690
Base-Backbone interact. energy: -0.392
local terms energy: -97.270338
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -27.465
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: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -329.571681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.571681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.571681 (E_RNA)
where:
Base-Base interactions energy: -232.572
where: short stacking energy: -102.316
Base-Backbone interact. energy: -0.097
local terms energy: -96.902379
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -27.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -324.485628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.485628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.485628 (E_RNA)
where:
Base-Base interactions energy: -237.915
where: short stacking energy: -80.706
Base-Backbone interact. energy: -0.275
local terms energy: -86.295919
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -19.995
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: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -327.587197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.587197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.587197 (E_RNA)
where:
Base-Base interactions energy: -243.770
where: short stacking energy: -92.520
Base-Backbone interact. energy: -0.181
local terms energy: -83.636132
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -324.795871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.795871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.795871 (E_RNA)
where:
Base-Base interactions energy: -238.324
where: short stacking energy: -89.883
Base-Backbone interact. energy: 0.098
local terms energy: -86.570760
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -22.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -192.995326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.995326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.995326 (E_RNA)
where:
Base-Base interactions energy: -122.844
where: short stacking energy: -67.763
Base-Backbone interact. energy: -0.101
local terms energy: -70.050497
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -3.182
tors. eta vs tors. theta energy: -10.718
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: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -98.057024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.057024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.057024 (E_RNA)
where:
Base-Base interactions energy: -32.069
where: short stacking energy: -26.693
Base-Backbone interact. energy: -0.255
local terms energy: -65.733491
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -106.699127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.699127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.699127 (E_RNA)
where:
Base-Base interactions energy: -43.859
where: short stacking energy: -29.838
Base-Backbone interact. energy: -0.513
local terms energy: -62.326311
where:
bonds (distance) C4'-P energy: -21.387
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -10.043
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: 1, replica: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -349.301538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.301538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.301538 (E_RNA)
where:
Base-Base interactions energy: -254.007
where: short stacking energy: -93.679
Base-Backbone interact. energy: 0.384
local terms energy: -95.678266
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -22.912
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: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -356.355689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.355689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.355689 (E_RNA)
where:
Base-Base interactions energy: -247.438
where: short stacking energy: -105.540
Base-Backbone interact. energy: -0.001
local terms energy: -108.916534
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -23.363
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -30.723
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: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -340.364690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.364690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.364690 (E_RNA)
where:
Base-Base interactions energy: -242.702
where: short stacking energy: -93.384
Base-Backbone interact. energy: -0.616
local terms energy: -97.045988
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -330.346218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.346218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.346218 (E_RNA)
where:
Base-Base interactions energy: -240.503
where: short stacking energy: -90.211
Base-Backbone interact. energy: 0.343
local terms energy: -90.185788
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -22.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -314.423641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.423641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.423641 (E_RNA)
where:
Base-Base interactions energy: -222.055
where: short stacking energy: -86.926
Base-Backbone interact. energy: -0.341
local terms energy: -92.028212
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -337.640734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.640734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.640734 (E_RNA)
where:
Base-Base interactions energy: -242.446
where: short stacking energy: -100.738
Base-Backbone interact. energy: -0.011
local terms energy: -95.183891
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -27.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -310.144380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.144380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.144380 (E_RNA)
where:
Base-Base interactions energy: -222.157
where: short stacking energy: -89.213
Base-Backbone interact. energy: -0.071
local terms energy: -87.916749
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -29.191
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: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -195.052773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.052773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.052773 (E_RNA)
where:
Base-Base interactions energy: -127.287
where: short stacking energy: -57.293
Base-Backbone interact. energy: 0.614
local terms energy: -68.379894
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -9.900
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: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -132.485794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.485794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.485794 (E_RNA)
where:
Base-Base interactions energy: -57.024
where: short stacking energy: -57.024
Base-Backbone interact. energy: -0.450
local terms energy: -75.012197
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -10.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -111.116753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.116753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.116753 (E_RNA)
where:
Base-Base interactions energy: -48.128
where: short stacking energy: -33.064
Base-Backbone interact. energy: -0.135
local terms energy: -62.853905
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -350.027500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.027500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.027500 (E_RNA)
where:
Base-Base interactions energy: -243.544
where: short stacking energy: -92.004
Base-Backbone interact. energy: -0.261
local terms energy: -106.222598
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -24.469
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -24.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -339.851132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.851132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.851132 (E_RNA)
where:
Base-Base interactions energy: -242.889
where: short stacking energy: -89.270
Base-Backbone interact. energy: -0.246
local terms energy: -96.715712
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -24.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -341.901400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.901400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.901400 (E_RNA)
where:
Base-Base interactions energy: -245.757
where: short stacking energy: -98.364
Base-Backbone interact. energy: -0.678
local terms energy: -95.466749
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -336.423119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.423119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.423119 (E_RNA)
where:
Base-Base interactions energy: -236.751
where: short stacking energy: -92.072
Base-Backbone interact. energy: -0.265
local terms energy: -99.407796
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -23.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -330.745483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.745483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.745483 (E_RNA)
where:
Base-Base interactions energy: -234.345
where: short stacking energy: -99.124
Base-Backbone interact. energy: -0.001
local terms energy: -96.399247
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -28.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -317.604288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.604288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.604288 (E_RNA)
where:
Base-Base interactions energy: -228.601
where: short stacking energy: -88.363
Base-Backbone interact. energy: -0.984
local terms energy: -88.019784
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -19.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -325.219755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.219755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.219755 (E_RNA)
where:
Base-Base interactions energy: -233.149
where: short stacking energy: -88.959
Base-Backbone interact. energy: -0.351
local terms energy: -91.719699
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -21.783
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: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -175.229585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.229585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.229585 (E_RNA)
where:
Base-Base interactions energy: -108.151
where: short stacking energy: -49.377
Base-Backbone interact. energy: -0.124
local terms energy: -66.954824
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -4.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -100.914609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.914609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.914609 (E_RNA)
where:
Base-Base interactions energy: -48.639
where: short stacking energy: -32.647
Base-Backbone interact. energy: 1.138
local terms energy: -53.413524
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -1.954
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -107.389319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.389319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.389319 (E_RNA)
where:
Base-Base interactions energy: -42.634
where: short stacking energy: -37.900
Base-Backbone interact. energy: 0.005
local terms energy: -64.759888
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -23.676
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -6.177
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: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -346.482746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.482746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.482746 (E_RNA)
where:
Base-Base interactions energy: -244.601
where: short stacking energy: -102.058
Base-Backbone interact. energy: -0.100
local terms energy: -101.781973
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -27.571
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: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -352.435267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.435267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.435267 (E_RNA)
where:
Base-Base interactions energy: -253.064
where: short stacking energy: -88.145
Base-Backbone interact. energy: -0.493
local terms energy: -98.879106
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -24.018
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -352.649125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.649125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.649125 (E_RNA)
where:
Base-Base interactions energy: -254.310
where: short stacking energy: -98.619
Base-Backbone interact. energy: -0.152
local terms energy: -98.187110
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -19.637
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -335.095269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.095269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.095269 (E_RNA)
where:
Base-Base interactions energy: -237.948
where: short stacking energy: -91.871
Base-Backbone interact. energy: -0.047
local terms energy: -97.099743
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -24.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -332.388816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.388816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.388816 (E_RNA)
where:
Base-Base interactions energy: -236.525
where: short stacking energy: -87.466
Base-Backbone interact. energy: -0.277
local terms energy: -95.586096
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -333.058531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.058531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.058531 (E_RNA)
where:
Base-Base interactions energy: -235.578
where: short stacking energy: -97.058
Base-Backbone interact. energy: -0.109
local terms energy: -97.371518
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -26.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -310.770319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.770319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.770319 (E_RNA)
where:
Base-Base interactions energy: -231.456
where: short stacking energy: -83.388
Base-Backbone interact. energy: -0.051
local terms energy: -79.262935
where:
bonds (distance) C4'-P energy: -19.368
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -18.913
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: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -181.717997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.717997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.717997 (E_RNA)
where:
Base-Base interactions energy: -110.813
where: short stacking energy: -48.311
Base-Backbone interact. energy: -0.518
local terms energy: -70.386594
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -3.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -113.771975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.771975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.771975 (E_RNA)
where:
Base-Base interactions energy: -51.279
where: short stacking energy: -38.917
Base-Backbone interact. energy: 0.622
local terms energy: -63.114410
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -105.056527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.056527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.056527 (E_RNA)
where:
Base-Base interactions energy: -54.057
where: short stacking energy: -44.341
Base-Backbone interact. energy: -0.682
local terms energy: -50.317388
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -357.774881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.774881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.774881 (E_RNA)
where:
Base-Base interactions energy: -253.955
where: short stacking energy: -93.072
Base-Backbone interact. energy: -1.367
local terms energy: -102.452893
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -351.090412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.090412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.090412 (E_RNA)
where:
Base-Base interactions energy: -246.455
where: short stacking energy: -104.953
Base-Backbone interact. energy: -0.010
local terms energy: -104.625794
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -30.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -337.327579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.327579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.327579 (E_RNA)
where:
Base-Base interactions energy: -236.096
where: short stacking energy: -99.403
Base-Backbone interact. energy: -0.023
local terms energy: -101.209050
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -28.420
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: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -347.818193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.818193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.818193 (E_RNA)
where:
Base-Base interactions energy: -249.108
where: short stacking energy: -87.885
Base-Backbone interact. energy: -0.172
local terms energy: -98.538075
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -16.734
tors. eta vs tors. theta energy: -28.361
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: 436
Temperature: 1.100000
Total energy: -333.938362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.938362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.938362 (E_RNA)
where:
Base-Base interactions energy: -231.696
where: short stacking energy: -94.303
Base-Backbone interact. energy: 0.998
local terms energy: -103.240584
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -17.177
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: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -324.788430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.788430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.788430 (E_RNA)
where:
Base-Base interactions energy: -232.027
where: short stacking energy: -91.015
Base-Backbone interact. energy: -0.678
local terms energy: -92.083953
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -19.248
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -315.142342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.142342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.142342 (E_RNA)
where:
Base-Base interactions energy: -223.885
where: short stacking energy: -87.158
Base-Backbone interact. energy: -0.217
local terms energy: -91.040253
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -23.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -195.166310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.166310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.166310 (E_RNA)
where:
Base-Base interactions energy: -127.072
where: short stacking energy: -68.313
Base-Backbone interact. energy: 0.002
local terms energy: -68.096809
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -9.845
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: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -118.026328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.026328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.026328 (E_RNA)
where:
Base-Base interactions energy: -55.187
where: short stacking energy: -24.435
Base-Backbone interact. energy: -0.312
local terms energy: -62.526640
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -120.896158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.896158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.896158 (E_RNA)
where:
Base-Base interactions energy: -63.046
where: short stacking energy: -36.675
Base-Backbone interact. energy: 2.271
local terms energy: -60.121070
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -354.928172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.928172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.928172 (E_RNA)
where:
Base-Base interactions energy: -258.580
where: short stacking energy: -94.547
Base-Backbone interact. energy: -0.235
local terms energy: -96.113312
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -22.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -350.939979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.939979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.939979 (E_RNA)
where:
Base-Base interactions energy: -241.632
where: short stacking energy: -103.912
Base-Backbone interact. energy: -0.001
local terms energy: -109.307503
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -350.415334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.415334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.415334 (E_RNA)
where:
Base-Base interactions energy: -245.749
where: short stacking energy: -106.358
Base-Backbone interact. energy: -0.814
local terms energy: -103.852479
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -23.309
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -27.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -349.291985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.291985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.291985 (E_RNA)
where:
Base-Base interactions energy: -244.435
where: short stacking energy: -90.005
Base-Backbone interact. energy: -0.204
local terms energy: -104.652605
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -28.811
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: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -329.976891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.976891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.976891 (E_RNA)
where:
Base-Base interactions energy: -233.953
where: short stacking energy: -100.365
Base-Backbone interact. energy: 0.897
local terms energy: -96.920843
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -25.786
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: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -315.569725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.569725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.569725 (E_RNA)
where:
Base-Base interactions energy: -214.426
where: short stacking energy: -83.169
Base-Backbone interact. energy: -0.078
local terms energy: -101.065609
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -23.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -310.599820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.599820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.599820 (E_RNA)
where:
Base-Base interactions energy: -228.902
where: short stacking energy: -91.077
Base-Backbone interact. energy: -0.028
local terms energy: -81.670374
where:
bonds (distance) C4'-P energy: -7.845
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -27.829
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: 8, replica: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -193.007055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.007055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.007055 (E_RNA)
where:
Base-Base interactions energy: -123.566
where: short stacking energy: -63.855
Base-Backbone interact. energy: 0.726
local terms energy: -70.167136
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -107.682127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.682127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.682127 (E_RNA)
where:
Base-Base interactions energy: -36.288
where: short stacking energy: -36.144
Base-Backbone interact. energy: -0.336
local terms energy: -71.058411
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -99.779661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.779661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.779661 (E_RNA)
where:
Base-Base interactions energy: -33.778
where: short stacking energy: -34.578
Base-Backbone interact. energy: -0.356
local terms energy: -65.645970
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -10.272
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: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -354.501233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.501233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.501233 (E_RNA)
where:
Base-Base interactions energy: -247.221
where: short stacking energy: -100.736
Base-Backbone interact. energy: -0.042
local terms energy: -107.238644
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -22.294
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -29.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -346.684161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.684161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.684161 (E_RNA)
where:
Base-Base interactions energy: -252.988
where: short stacking energy: -92.703
Base-Backbone interact. energy: -0.321
local terms energy: -93.375134
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -19.250
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: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -349.318574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.318574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.318574 (E_RNA)
where:
Base-Base interactions energy: -245.536
where: short stacking energy: -97.228
Base-Backbone interact. energy: -0.045
local terms energy: -103.737112
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -27.209
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: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -343.394950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.394950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.394950 (E_RNA)
where:
Base-Base interactions energy: -244.961
where: short stacking energy: -89.325
Base-Backbone interact. energy: -0.144
local terms energy: -98.290676
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -334.765707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.765707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.765707 (E_RNA)
where:
Base-Base interactions energy: -236.638
where: short stacking energy: -88.529
Base-Backbone interact. energy: -0.111
local terms energy: -98.016801
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -25.872
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: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -329.675524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.675524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.675524 (E_RNA)
where:
Base-Base interactions energy: -240.749
where: short stacking energy: -90.596
Base-Backbone interact. energy: -0.166
local terms energy: -88.761388
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -16.240
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: 7, replica: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -303.859818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.859818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.859818 (E_RNA)
where:
Base-Base interactions energy: -214.220
where: short stacking energy: -91.473
Base-Backbone interact. energy: 1.391
local terms energy: -91.031313
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -22.709
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -201.282646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.282646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.282646 (E_RNA)
where:
Base-Base interactions energy: -130.561
where: short stacking energy: -49.159
Base-Backbone interact. energy: -0.061
local terms energy: -70.660081
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -6.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -124.227218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.227218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.227218 (E_RNA)
where:
Base-Base interactions energy: -54.686
where: short stacking energy: -48.207
Base-Backbone interact. energy: 2.762
local terms energy: -72.303014
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -97.428185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.428185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.428185 (E_RNA)
where:
Base-Base interactions energy: -33.746
where: short stacking energy: -33.622
Base-Backbone interact. energy: -0.735
local terms energy: -62.946476
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -25.072
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: 2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -353.124034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.124034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.124034 (E_RNA)
where:
Base-Base interactions energy: -242.097
where: short stacking energy: -106.412
Base-Backbone interact. energy: -0.169
local terms energy: -110.857592
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -28.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -360.528335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.528335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.528335 (E_RNA)
where:
Base-Base interactions energy: -255.948
where: short stacking energy: -85.441
Base-Backbone interact. energy: -1.542
local terms energy: -103.038922
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -23.372
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: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -344.336311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.336311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.336311 (E_RNA)
where:
Base-Base interactions energy: -247.389
where: short stacking energy: -93.815
Base-Backbone interact. energy: -0.154
local terms energy: -96.793556
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -24.614
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -21.118
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: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -338.200526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.200526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.200526 (E_RNA)
where:
Base-Base interactions energy: -242.369
where: short stacking energy: -92.242
Base-Backbone interact. energy: -0.071
local terms energy: -95.759566
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -21.335
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: 439
Temperature: 1.100000
Total energy: -340.828299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.828299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.828299 (E_RNA)
where:
Base-Base interactions energy: -244.112
where: short stacking energy: -92.758
Base-Backbone interact. energy: -0.033
local terms energy: -96.683549
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -17.806
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -317.993389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.993389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.993389 (E_RNA)
where:
Base-Base interactions energy: -233.822
where: short stacking energy: -81.778
Base-Backbone interact. energy: -0.190
local terms energy: -83.982231
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -24.437
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: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -315.650595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.650595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.650595 (E_RNA)
where:
Base-Base interactions energy: -222.072
where: short stacking energy: -91.838
Base-Backbone interact. energy: -0.047
local terms energy: -93.531423
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -205.110445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.110445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.110445 (E_RNA)
where:
Base-Base interactions energy: -119.523
where: short stacking energy: -52.149
Base-Backbone interact. energy: 0.680
local terms energy: -86.268128
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -10.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -105.579997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.579997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.579997 (E_RNA)
where:
Base-Base interactions energy: -37.562
where: short stacking energy: -26.198
Base-Backbone interact. energy: -0.201
local terms energy: -67.817169
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -0.437
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: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -103.094537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.094537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.094537 (E_RNA)
where:
Base-Base interactions energy: -38.751
where: short stacking energy: -36.362
Base-Backbone interact. energy: 0.168
local terms energy: -64.511305
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -356.599254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.599254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.599254 (E_RNA)
where:
Base-Base interactions energy: -255.613
where: short stacking energy: -84.497
Base-Backbone interact. energy: -0.196
local terms energy: -100.790606
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -22.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -350.160840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.160840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.160840 (E_RNA)
where:
Base-Base interactions energy: -245.033
where: short stacking energy: -106.662
Base-Backbone interact. energy: 0.511
local terms energy: -105.638502
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -27.385
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: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -339.495875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.495875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.495875 (E_RNA)
where:
Base-Base interactions energy: -240.806
where: short stacking energy: -91.477
Base-Backbone interact. energy: -0.116
local terms energy: -98.574303
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -329.739408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.739408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.739408 (E_RNA)
where:
Base-Base interactions energy: -235.291
where: short stacking energy: -97.215
Base-Backbone interact. energy: -0.053
local terms energy: -94.395906
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -27.805
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: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -340.870482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.870482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.870482 (E_RNA)
where:
Base-Base interactions energy: -247.692
where: short stacking energy: -91.890
Base-Backbone interact. energy: -0.222
local terms energy: -92.956787
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -23.464
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: 2
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -325.892304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.892304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.892304 (E_RNA)
where:
Base-Base interactions energy: -228.866
where: short stacking energy: -83.117
Base-Backbone interact. energy: -0.089
local terms energy: -96.937137
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -22.524
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -23.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -309.969905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.969905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.969905 (E_RNA)
where:
Base-Base interactions energy: -217.725
where: short stacking energy: -80.488
Base-Backbone interact. energy: -0.268
local terms energy: -91.977523
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -196.286803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.286803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.286803 (E_RNA)
where:
Base-Base interactions energy: -121.584
where: short stacking energy: -61.308
Base-Backbone interact. energy: 0.231
local terms energy: -74.933055
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -9.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -125.459281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.459281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.459281 (E_RNA)
where:
Base-Base interactions energy: -53.060
where: short stacking energy: -51.470
Base-Backbone interact. energy: -0.340
local terms energy: -72.059856
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -11.018
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: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -100.908819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.908819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.908819 (E_RNA)
where:
Base-Base interactions energy: -34.597
where: short stacking energy: -34.597
Base-Backbone interact. energy: -0.284
local terms energy: -66.027439
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -354.497863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.497863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.497863 (E_RNA)
where:
Base-Base interactions energy: -259.989
where: short stacking energy: -93.043
Base-Backbone interact. energy: -0.395
local terms energy: -94.114084
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -23.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -354.592274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.592274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.592274 (E_RNA)
where:
Base-Base interactions energy: -252.535
where: short stacking energy: -105.342
Base-Backbone interact. energy: -0.894
local terms energy: -101.162814
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -26.612
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: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -333.013686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.013686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.013686 (E_RNA)
where:
Base-Base interactions energy: -247.326
where: short stacking energy: -85.733
Base-Backbone interact. energy: -0.386
local terms energy: -85.302088
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -21.245
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -346.599220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.599220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.599220 (E_RNA)
where:
Base-Base interactions energy: -246.735
where: short stacking energy: -94.538
Base-Backbone interact. energy: -0.174
local terms energy: -99.690695
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -22.684
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -26.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -326.450735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.450735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.450735 (E_RNA)
where:
Base-Base interactions energy: -238.766
where: short stacking energy: -87.787
Base-Backbone interact. energy: -0.273
local terms energy: -87.412484
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -328.751165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.751165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.751165 (E_RNA)
where:
Base-Base interactions energy: -235.551
where: short stacking energy: -85.160
Base-Backbone interact. energy: -0.310
local terms energy: -92.890466
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -299.463187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.463187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.463187 (E_RNA)
where:
Base-Base interactions energy: -211.836
where: short stacking energy: -77.092
Base-Backbone interact. energy: -0.136
local terms energy: -87.491582
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -11.991
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: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -203.641125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.641125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.641125 (E_RNA)
where:
Base-Base interactions energy: -131.882
where: short stacking energy: -61.459
Base-Backbone interact. energy: -0.144
local terms energy: -71.614494
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -11.650
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: 441
Temperature: 1.300000
Total energy: -114.326089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.326089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.326089 (E_RNA)
where:
Base-Base interactions energy: -48.602
where: short stacking energy: -46.219
Base-Backbone interact. energy: -0.236
local terms energy: -65.487593
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -148.738382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.738382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.738382 (E_RNA)
where:
Base-Base interactions energy: -90.161
where: short stacking energy: -54.563
Base-Backbone interact. energy: -0.241
local terms energy: -58.335983
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -356.796117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.796117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.796117 (E_RNA)
where:
Base-Base interactions energy: -256.310
where: short stacking energy: -105.059
Base-Backbone interact. energy: -0.292
local terms energy: -100.194007
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -24.826
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: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -355.353667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.353667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.353667 (E_RNA)
where:
Base-Base interactions energy: -249.402
where: short stacking energy: -94.982
Base-Backbone interact. energy: -0.141
local terms energy: -105.810443
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -17.699
tors. eta vs tors. theta energy: -27.591
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: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -356.452135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.452135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.452135 (E_RNA)
where:
Base-Base interactions energy: -254.528
where: short stacking energy: -97.328
Base-Backbone interact. energy: -0.091
local terms energy: -101.832575
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -24.141
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: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -329.143888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.143888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.143888 (E_RNA)
where:
Base-Base interactions energy: -233.821
where: short stacking energy: -91.244
Base-Backbone interact. energy: -0.656
local terms energy: -94.666379
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -337.162902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.162902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.162902 (E_RNA)
where:
Base-Base interactions energy: -244.217
where: short stacking energy: -98.324
Base-Backbone interact. energy: -0.385
local terms energy: -92.561226
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -22.505
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: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -319.692286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.692286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.692286 (E_RNA)
where:
Base-Base interactions energy: -224.628
where: short stacking energy: -88.781
Base-Backbone interact. energy: -0.259
local terms energy: -94.805564
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -14.123
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: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -309.187631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.187631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.187631 (E_RNA)
where:
Base-Base interactions energy: -230.079
where: short stacking energy: -88.177
Base-Backbone interact. energy: 0.092
local terms energy: -79.200753
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -14.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -198.951359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.951359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.951359 (E_RNA)
where:
Base-Base interactions energy: -119.348
where: short stacking energy: -62.076
Base-Backbone interact. energy: -0.146
local terms energy: -79.457662
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -163.280715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.280715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.280715 (E_RNA)
where:
Base-Base interactions energy: -87.562
where: short stacking energy: -48.491
Base-Backbone interact. energy: -0.067
local terms energy: -75.652302
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -98.743147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.743147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.743147 (E_RNA)
where:
Base-Base interactions energy: -35.407
where: short stacking energy: -28.580
Base-Backbone interact. energy: 0.088
local terms energy: -63.423574
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: 0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -355.609074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.609074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.609074 (E_RNA)
where:
Base-Base interactions energy: -258.646
where: short stacking energy: -103.978
Base-Backbone interact. energy: -0.175
local terms energy: -96.788044
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -24.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -360.904615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.904615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.904615 (E_RNA)
where:
Base-Base interactions energy: -246.657
where: short stacking energy: -94.433
Base-Backbone interact. energy: -0.125
local terms energy: -114.122982
where:
bonds (distance) C4'-P energy: -24.120
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -27.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -347.357511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.357511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.357511 (E_RNA)
where:
Base-Base interactions energy: -254.319
where: short stacking energy: -97.620
Base-Backbone interact. energy: -0.076
local terms energy: -92.962195
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -22.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -340.679201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.679201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.679201 (E_RNA)
where:
Base-Base interactions energy: -237.417
where: short stacking energy: -105.375
Base-Backbone interact. energy: -1.401
local terms energy: -101.861499
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -29.064
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: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -331.773129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.773129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.773129 (E_RNA)
where:
Base-Base interactions energy: -245.055
where: short stacking energy: -95.434
Base-Backbone interact. energy: -0.044
local terms energy: -86.673499
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -21.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -296.927613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.927613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.927613 (E_RNA)
where:
Base-Base interactions energy: -206.847
where: short stacking energy: -81.158
Base-Backbone interact. energy: -0.108
local terms energy: -89.973310
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -20.644
flat angles P-C4'-P energy: -11.405
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: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -324.016238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.016238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.016238 (E_RNA)
where:
Base-Base interactions energy: -230.738
where: short stacking energy: -99.950
Base-Backbone interact. energy: -1.049
local terms energy: -92.229486
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -26.666
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: 8, replica: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -222.003862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.003862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.003862 (E_RNA)
where:
Base-Base interactions energy: -133.576
where: short stacking energy: -73.275
Base-Backbone interact. energy: -0.185
local terms energy: -88.243323
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -144.273447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.273447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.273447 (E_RNA)
where:
Base-Base interactions energy: -84.359
where: short stacking energy: -48.559
Base-Backbone interact. energy: -0.380
local terms energy: -59.534992
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: 0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -120.594309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.594309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.594309 (E_RNA)
where:
Base-Base interactions energy: -51.757
where: short stacking energy: -32.130
Base-Backbone interact. energy: -0.200
local terms energy: -68.636470
where:
bonds (distance) C4'-P energy: -22.724
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -1.881
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: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -355.795989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.795989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.795989 (E_RNA)
where:
Base-Base interactions energy: -249.419
where: short stacking energy: -92.173
Base-Backbone interact. energy: -0.027
local terms energy: -106.350559
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -26.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -350.103856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.103856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.103856 (E_RNA)
where:
Base-Base interactions energy: -246.464
where: short stacking energy: -106.994
Base-Backbone interact. energy: -0.022
local terms energy: -103.618417
where:
bonds (distance) C4'-P energy: -19.956
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -25.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -348.422966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.422966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.422966 (E_RNA)
where:
Base-Base interactions energy: -247.741
where: short stacking energy: -100.449
Base-Backbone interact. energy: -0.980
local terms energy: -99.701710
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -27.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -338.854995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.854995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.854995 (E_RNA)
where:
Base-Base interactions energy: -237.709
where: short stacking energy: -90.947
Base-Backbone interact. energy: -0.188
local terms energy: -100.958436
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -330.315328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.315328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.315328 (E_RNA)
where:
Base-Base interactions energy: -236.786
where: short stacking energy: -100.892
Base-Backbone interact. energy: 0.118
local terms energy: -93.647856
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -313.927197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.927197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.927197 (E_RNA)
where:
Base-Base interactions energy: -227.099
where: short stacking energy: -85.315
Base-Backbone interact. energy: -0.620
local terms energy: -86.207634
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -9.336
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -16.869
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: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -331.213690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.213690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.213690 (E_RNA)
where:
Base-Base interactions energy: -241.036
where: short stacking energy: -93.372
Base-Backbone interact. energy: -0.102
local terms energy: -90.075677
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -23.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -198.677666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.677666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.677666 (E_RNA)
where:
Base-Base interactions energy: -123.136
where: short stacking energy: -62.587
Base-Backbone interact. energy: -0.187
local terms energy: -75.355301
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -9.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -119.590601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.590601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.590601 (E_RNA)
where:
Base-Base interactions energy: -56.347
where: short stacking energy: -40.391
Base-Backbone interact. energy: -0.148
local terms energy: -63.096210
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -145.159076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.159076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.159076 (E_RNA)
where:
Base-Base interactions energy: -69.971
where: short stacking energy: -38.434
Base-Backbone interact. energy: -0.101
local terms energy: -75.086895
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -357.301533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.301533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.301533 (E_RNA)
where:
Base-Base interactions energy: -255.892
where: short stacking energy: -101.350
Base-Backbone interact. energy: -0.125
local terms energy: -101.284792
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -26.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -345.236999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.236999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.236999 (E_RNA)
where:
Base-Base interactions energy: -245.270
where: short stacking energy: -105.921
Base-Backbone interact. energy: -1.089
local terms energy: -98.878192
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -28.832
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: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -357.328611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.328611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.328611 (E_RNA)
where:
Base-Base interactions energy: -252.017
where: short stacking energy: -102.649
Base-Backbone interact. energy: -0.120
local terms energy: -105.192372
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -17.589
tors. eta vs tors. theta energy: -28.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -334.099607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.099607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.099607 (E_RNA)
where:
Base-Base interactions energy: -234.657
where: short stacking energy: -89.320
Base-Backbone interact. energy: -0.116
local terms energy: -99.325950
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -23.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -337.852629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.852629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.852629 (E_RNA)
where:
Base-Base interactions energy: -242.945
where: short stacking energy: -88.845
Base-Backbone interact. energy: -0.127
local terms energy: -94.780348
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -25.422
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: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -319.319159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.319159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.319159 (E_RNA)
where:
Base-Base interactions energy: -231.338
where: short stacking energy: -76.851
Base-Backbone interact. energy: -0.115
local terms energy: -87.866782
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -14.372
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: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -324.545430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.545430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.545430 (E_RNA)
where:
Base-Base interactions energy: -235.738
where: short stacking energy: -87.704
Base-Backbone interact. energy: -0.705
local terms energy: -88.102200
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -19.701
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -20.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -152.710759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.710759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.710759 (E_RNA)
where:
Base-Base interactions energy: -83.190
where: short stacking energy: -46.154
Base-Backbone interact. energy: 2.973
local terms energy: -72.493621
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -5.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -112.784965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.784965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.784965 (E_RNA)
where:
Base-Base interactions energy: -48.246
where: short stacking energy: -30.098
Base-Backbone interact. energy: -0.324
local terms energy: -64.214911
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -130.065872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.065872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.065872 (E_RNA)
where:
Base-Base interactions energy: -61.504
where: short stacking energy: -31.302
Base-Backbone interact. energy: 0.259
local terms energy: -68.820996
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -358.292689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.292689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.292689 (E_RNA)
where:
Base-Base interactions energy: -251.518
where: short stacking energy: -95.018
Base-Backbone interact. energy: -0.002
local terms energy: -106.772953
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -23.696
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -26.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -363.540252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.540252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.540252 (E_RNA)
where:
Base-Base interactions energy: -260.045
where: short stacking energy: -96.884
Base-Backbone interact. energy: -0.087
local terms energy: -103.408444
where:
bonds (distance) C4'-P energy: -20.000
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -23.602
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -28.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -341.779169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.779169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.779169 (E_RNA)
where:
Base-Base interactions energy: -242.085
where: short stacking energy: -85.502
Base-Backbone interact. energy: -0.283
local terms energy: -99.410711
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -14.466
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: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -336.492036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.492036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.492036 (E_RNA)
where:
Base-Base interactions energy: -236.385
where: short stacking energy: -96.421
Base-Backbone interact. energy: -0.426
local terms energy: -99.681286
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -27.818
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: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -342.704023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.704023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.704023 (E_RNA)
where:
Base-Base interactions energy: -247.340
where: short stacking energy: -97.992
Base-Backbone interact. energy: -0.183
local terms energy: -95.180982
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -26.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -337.657154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.657154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.657154 (E_RNA)
where:
Base-Base interactions energy: -238.978
where: short stacking energy: -87.911
Base-Backbone interact. energy: -0.376
local terms energy: -98.303323
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -24.491
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: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -317.053485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.053485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.053485 (E_RNA)
where:
Base-Base interactions energy: -225.474
where: short stacking energy: -85.219
Base-Backbone interact. energy: -0.227
local terms energy: -91.353345
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -22.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -201.284844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.284844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.284844 (E_RNA)
where:
Base-Base interactions energy: -126.186
where: short stacking energy: -71.036
Base-Backbone interact. energy: -0.118
local terms energy: -74.980433
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -115.157960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.157960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.157960 (E_RNA)
where:
Base-Base interactions energy: -58.536
where: short stacking energy: -42.570
Base-Backbone interact. energy: -0.260
local terms energy: -56.361618
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -102.398460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.398460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.398460 (E_RNA)
where:
Base-Base interactions energy: -35.917
where: short stacking energy: -20.192
Base-Backbone interact. energy: -0.624
local terms energy: -65.858359
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: 3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -354.094938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.094938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.094938 (E_RNA)
where:
Base-Base interactions energy: -248.302
where: short stacking energy: -104.210
Base-Backbone interact. energy: -0.002
local terms energy: -105.790307
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -19.659
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -27.436
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: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -352.674571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.674571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.674571 (E_RNA)
where:
Base-Base interactions energy: -252.448
where: short stacking energy: -94.611
Base-Backbone interact. energy: -0.153
local terms energy: -100.073195
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -25.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -341.009794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.009794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.009794 (E_RNA)
where:
Base-Base interactions energy: -245.594
where: short stacking energy: -93.547
Base-Backbone interact. energy: 0.676
local terms energy: -96.091553
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -24.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -342.860239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.860239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.860239 (E_RNA)
where:
Base-Base interactions energy: -247.929
where: short stacking energy: -93.797
Base-Backbone interact. energy: -0.077
local terms energy: -94.854807
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -338.770668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.770668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.770668 (E_RNA)
where:
Base-Base interactions energy: -235.956
where: short stacking energy: -101.586
Base-Backbone interact. energy: -0.003
local terms energy: -102.811368
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: -26.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -346.949165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.949165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.949165 (E_RNA)
where:
Base-Base interactions energy: -248.846
where: short stacking energy: -93.624
Base-Backbone interact. energy: -0.330
local terms energy: -97.773784
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -20.003
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -16.840
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: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -320.576036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.576036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.576036 (E_RNA)
where:
Base-Base interactions energy: -235.183
where: short stacking energy: -89.371
Base-Backbone interact. energy: -0.094
local terms energy: -85.299113
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -7.694
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: 8, replica: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -192.359892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.359892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.359892 (E_RNA)
where:
Base-Base interactions energy: -117.776
where: short stacking energy: -67.463
Base-Backbone interact. energy: -0.253
local terms energy: -74.330797
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -14.373
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: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -117.304926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.304926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.304926 (E_RNA)
where:
Base-Base interactions energy: -50.244
where: short stacking energy: -50.244
Base-Backbone interact. energy: 0.226
local terms energy: -67.286464
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -15.320
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: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -119.756891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.756891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.756891 (E_RNA)
where:
Base-Base interactions energy: -53.840
where: short stacking energy: -29.809
Base-Backbone interact. energy: -1.269
local terms energy: -64.647630
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -357.715057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.715057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.715057 (E_RNA)
where:
Base-Base interactions energy: -251.720
where: short stacking energy: -97.329
Base-Backbone interact. energy: -0.234
local terms energy: -105.761077
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -26.847
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: 448
Temperature: 0.950000
Total energy: -352.262250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.262250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.262250 (E_RNA)
where:
Base-Base interactions energy: -250.853
where: short stacking energy: -103.824
Base-Backbone interact. energy: 0.445
local terms energy: -101.854316
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -17.824
tors. eta vs tors. theta energy: -26.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -337.521274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.521274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.521274 (E_RNA)
where:
Base-Base interactions energy: -245.020
where: short stacking energy: -97.586
Base-Backbone interact. energy: -0.009
local terms energy: -92.491986
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -24.129
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: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -343.192983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.192983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.192983 (E_RNA)
where:
Base-Base interactions energy: -250.686
where: short stacking energy: -97.253
Base-Backbone interact. energy: -0.076
local terms energy: -92.431054
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -23.726
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: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -325.963016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.963016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.963016 (E_RNA)
where:
Base-Base interactions energy: -233.342
where: short stacking energy: -80.515
Base-Backbone interact. energy: -0.697
local terms energy: -91.923466
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -22.802
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -331.610061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.610061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.610061 (E_RNA)
where:
Base-Base interactions energy: -232.881
where: short stacking energy: -92.317
Base-Backbone interact. energy: 0.603
local terms energy: -99.331870
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -23.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -324.392483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.392483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.392483 (E_RNA)
where:
Base-Base interactions energy: -224.515
where: short stacking energy: -83.708
Base-Backbone interact. energy: -0.227
local terms energy: -99.651137
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -23.746
flat angles C4'-P-C4' energy: -21.371
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -26.065
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: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -194.655406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.655406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.655406 (E_RNA)
where:
Base-Base interactions energy: -118.023
where: short stacking energy: -59.067
Base-Backbone interact. energy: -1.462
local terms energy: -75.170427
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -112.230412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.230412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.230412 (E_RNA)
where:
Base-Base interactions energy: -51.107
where: short stacking energy: -44.387
Base-Backbone interact. energy: -0.318
local terms energy: -60.804943
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -4.928
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: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -107.031462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.031462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.031462 (E_RNA)
where:
Base-Base interactions energy: -46.992
where: short stacking energy: -43.981
Base-Backbone interact. energy: -1.063
local terms energy: -58.976795
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -358.377973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.377973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.377973 (E_RNA)
where:
Base-Base interactions energy: -245.873
where: short stacking energy: -90.450
Base-Backbone interact. energy: -0.127
local terms energy: -112.377566
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -27.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -351.909966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.909966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.909966 (E_RNA)
where:
Base-Base interactions energy: -255.712
where: short stacking energy: -100.757
Base-Backbone interact. energy: 0.593
local terms energy: -96.791566
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -27.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -347.048971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.048971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.048971 (E_RNA)
where:
Base-Base interactions energy: -243.867
where: short stacking energy: -97.726
Base-Backbone interact. energy: -0.008
local terms energy: -103.173766
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: -24.982
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: 4, replica: 10
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -341.897140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.897140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.897140 (E_RNA)
where:
Base-Base interactions energy: -245.425
where: short stacking energy: -108.863
Base-Backbone interact. energy: -0.146
local terms energy: -96.326299
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -26.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -337.448643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.448643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.448643 (E_RNA)
where:
Base-Base interactions energy: -242.184
where: short stacking energy: -81.992
Base-Backbone interact. energy: -0.384
local terms energy: -94.880770
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -20.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -330.347393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.347393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.347393 (E_RNA)
where:
Base-Base interactions energy: -248.007
where: short stacking energy: -95.327
Base-Backbone interact. energy: -0.253
local terms energy: -82.088141
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -26.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -323.821310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.821310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.821310 (E_RNA)
where:
Base-Base interactions energy: -236.373
where: short stacking energy: -85.662
Base-Backbone interact. energy: -0.097
local terms energy: -87.350909
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -24.629
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -198.664036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.664036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.664036 (E_RNA)
where:
Base-Base interactions energy: -124.815
where: short stacking energy: -67.274
Base-Backbone interact. energy: -0.100
local terms energy: -73.748772
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -9.471
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: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -114.062259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.062259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.062259 (E_RNA)
where:
Base-Base interactions energy: -46.289
where: short stacking energy: -38.950
Base-Backbone interact. energy: -0.228
local terms energy: -67.545791
where:
bonds (distance) C4'-P energy: -18.428
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -102.176701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.176701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.176701 (E_RNA)
where:
Base-Base interactions energy: -33.504
where: short stacking energy: -28.433
Base-Backbone interact. energy: 1.851
local terms energy: -70.524397
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -359.014536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.014536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.014536 (E_RNA)
where:
Base-Base interactions energy: -246.480
where: short stacking energy: -97.396
Base-Backbone interact. energy: -0.104
local terms energy: -112.430931
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -24.560
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -16.925
tors. eta vs tors. theta energy: -27.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -351.480208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.480208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.480208 (E_RNA)
where:
Base-Base interactions energy: -254.567
where: short stacking energy: -90.318
Base-Backbone interact. energy: -0.035
local terms energy: -96.878559
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -344.495964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.495964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.495964 (E_RNA)
where:
Base-Base interactions energy: -243.155
where: short stacking energy: -97.255
Base-Backbone interact. energy: -0.215
local terms energy: -101.125647
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -24.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -341.467555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.467555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.467555 (E_RNA)
where:
Base-Base interactions energy: -245.631
where: short stacking energy: -93.358
Base-Backbone interact. energy: -0.170
local terms energy: -95.666298
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -18.574
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -24.526
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: 450
Temperature: 1.100000
Total energy: -324.586928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.586928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.586928 (E_RNA)
where:
Base-Base interactions energy: -248.543
where: short stacking energy: -91.321
Base-Backbone interact. energy: 0.756
local terms energy: -76.799440
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -16.766
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: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -340.975481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.975481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.975481 (E_RNA)
where:
Base-Base interactions energy: -248.142
where: short stacking energy: -93.338
Base-Backbone interact. energy: -0.116
local terms energy: -92.717626
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -318.908861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.908861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.908861 (E_RNA)
where:
Base-Base interactions energy: -229.004
where: short stacking energy: -91.733
Base-Backbone interact. energy: -0.017
local terms energy: -89.887452
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -26.970
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: 450
Temperature: 1.250000
Total energy: -196.958617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.958617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.958617 (E_RNA)
where:
Base-Base interactions energy: -115.392
where: short stacking energy: -62.102
Base-Backbone interact. energy: -0.141
local terms energy: -81.425510
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -120.120265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.120265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.120265 (E_RNA)
where:
Base-Base interactions energy: -44.282
where: short stacking energy: -39.816
Base-Backbone interact. energy: -0.127
local terms energy: -75.711637
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -7.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -100.738032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.738032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.738032 (E_RNA)
where:
Base-Base interactions energy: -36.310
where: short stacking energy: -33.205
Base-Backbone interact. energy: -0.313
local terms energy: -64.114725
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -352.011206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.011206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.011206 (E_RNA)
where:
Base-Base interactions energy: -246.197
where: short stacking energy: -95.381
Base-Backbone interact. energy: -0.540
local terms energy: -105.273362
where:
bonds (distance) C4'-P energy: -19.128
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -22.777
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -25.391
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: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -341.714425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.714425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.714425 (E_RNA)
where:
Base-Base interactions energy: -236.843
where: short stacking energy: -96.126
Base-Backbone interact. energy: 0.029
local terms energy: -104.900477
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -344.823048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.823048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.823048 (E_RNA)
where:
Base-Base interactions energy: -243.477
where: short stacking energy: -86.270
Base-Backbone interact. energy: -0.033
local terms energy: -101.312487
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -333.862835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.862835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.862835 (E_RNA)
where:
Base-Base interactions energy: -229.873
where: short stacking energy: -94.841
Base-Backbone interact. energy: -0.491
local terms energy: -103.498561
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -26.498
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: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -340.542774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.542774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.542774 (E_RNA)
where:
Base-Base interactions energy: -248.921
where: short stacking energy: -96.443
Base-Backbone interact. energy: -0.747
local terms energy: -90.875037
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -20.606
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: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -321.740599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.740599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.740599 (E_RNA)
where:
Base-Base interactions energy: -225.839
where: short stacking energy: -92.891
Base-Backbone interact. energy: -0.155
local terms energy: -95.746539
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -26.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -328.425797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.425797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.425797 (E_RNA)
where:
Base-Base interactions energy: -238.212
where: short stacking energy: -89.661
Base-Backbone interact. energy: -0.115
local terms energy: -90.099000
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -144.867653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.867653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.867653 (E_RNA)
where:
Base-Base interactions energy: -77.192
where: short stacking energy: -49.648
Base-Backbone interact. energy: -0.291
local terms energy: -67.385228
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -3.309
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: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -189.490499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.490499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.490499 (E_RNA)
where:
Base-Base interactions energy: -118.171
where: short stacking energy: -56.884
Base-Backbone interact. energy: -0.212
local terms energy: -71.107344
where:
bonds (distance) C4'-P energy: -22.741
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -6.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -98.356551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.356551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.356551 (E_RNA)
where:
Base-Base interactions energy: -36.170
where: short stacking energy: -36.154
Base-Backbone interact. energy: 0.296
local terms energy: -62.483157
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -356.938739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.938739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.938739 (E_RNA)
where:
Base-Base interactions energy: -240.134
where: short stacking energy: -102.961
Base-Backbone interact. energy: -0.020
local terms energy: -116.784280
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -25.781
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -18.662
tors. eta vs tors. theta energy: -31.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -359.202713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.202713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.202713 (E_RNA)
where:
Base-Base interactions energy: -262.731
where: short stacking energy: -92.673
Base-Backbone interact. energy: -0.818
local terms energy: -95.653927
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -20.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -346.214958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.214958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.214958 (E_RNA)
where:
Base-Base interactions energy: -240.428
where: short stacking energy: -99.706
Base-Backbone interact. energy: 0.038
local terms energy: -105.824919
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -27.267
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: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -333.224005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.224005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.224005 (E_RNA)
where:
Base-Base interactions energy: -227.206
where: short stacking energy: -96.667
Base-Backbone interact. energy: 0.128
local terms energy: -106.146358
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -25.113
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -27.799
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: 5, replica: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -331.957196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.957196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.957196 (E_RNA)
where:
Base-Base interactions energy: -238.547
where: short stacking energy: -89.087
Base-Backbone interact. energy: -0.528
local terms energy: -92.882167
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -337.944388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.944388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.944388 (E_RNA)
where:
Base-Base interactions energy: -239.238
where: short stacking energy: -92.628
Base-Backbone interact. energy: -0.094
local terms energy: -98.612198
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -24.206
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -24.032
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: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -324.197067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.197067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.197067 (E_RNA)
where:
Base-Base interactions energy: -233.233
where: short stacking energy: -84.793
Base-Backbone interact. energy: -0.202
local terms energy: -90.762901
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -22.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -126.213266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.213266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.213266 (E_RNA)
where:
Base-Base interactions energy: -62.877
where: short stacking energy: -39.137
Base-Backbone interact. energy: -1.004
local terms energy: -62.332374
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -0.704
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: 9, replica: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -201.123923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.123923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.123923 (E_RNA)
where:
Base-Base interactions energy: -125.213
where: short stacking energy: -51.995
Base-Backbone interact. energy: -0.367
local terms energy: -75.543348
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -105.477703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.477703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.477703 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -32.488
Base-Backbone interact. energy: -0.370
local terms energy: -65.602551
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: 1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -352.990177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.990177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.990177 (E_RNA)
where:
Base-Base interactions energy: -248.540
where: short stacking energy: -107.864
Base-Backbone interact. energy: -0.215
local terms energy: -104.235459
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -21.413
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -27.479
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: 7
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -348.539906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.539906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.539906 (E_RNA)
where:
Base-Base interactions energy: -243.414
where: short stacking energy: -95.367
Base-Backbone interact. energy: 0.523
local terms energy: -105.648264
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -23.862
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: 5
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -350.585714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.585714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.585714 (E_RNA)
where:
Base-Base interactions energy: -247.859
where: short stacking energy: -99.415
Base-Backbone interact. energy: -0.014
local terms energy: -102.713049
where:
bonds (distance) C4'-P energy: -22.812
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: -23.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -343.305668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.305668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.305668 (E_RNA)
where:
Base-Base interactions energy: -239.340
where: short stacking energy: -99.735
Base-Backbone interact. energy: -2.769
local terms energy: -101.196501
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -15.150
tors. eta vs tors. theta energy: -29.978
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: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -333.995461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.995461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.995461 (E_RNA)
where:
Base-Base interactions energy: -242.208
where: short stacking energy: -90.770
Base-Backbone interact. energy: -0.124
local terms energy: -91.663718
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -22.013
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -23.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -333.984543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.984543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.984543 (E_RNA)
where:
Base-Base interactions energy: -232.924
where: short stacking energy: -99.109
Base-Backbone interact. energy: -0.001
local terms energy: -101.060253
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -24.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -332.090405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.090405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.090405 (E_RNA)
where:
Base-Base interactions energy: -234.979
where: short stacking energy: -89.025
Base-Backbone interact. energy: -0.267
local terms energy: -96.844209
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -25.065
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: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -213.215983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.215983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.215983 (E_RNA)
where:
Base-Base interactions energy: -140.002
where: short stacking energy: -65.126
Base-Backbone interact. energy: 4.421
local terms energy: -77.635805
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -18.631
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -8.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -118.392988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.392988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.392988 (E_RNA)
where:
Base-Base interactions energy: -45.269
where: short stacking energy: -42.341
Base-Backbone interact. energy: -0.226
local terms energy: -72.898037
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -108.076628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.076628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.076628 (E_RNA)
where:
Base-Base interactions energy: -57.842
where: short stacking energy: -29.573
Base-Backbone interact. energy: 0.640
local terms energy: -50.874874
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: 5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -362.048240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.048240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.048240 (E_RNA)
where:
Base-Base interactions energy: -249.945
where: short stacking energy: -108.098
Base-Backbone interact. energy: -0.000
local terms energy: -112.102531
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -24.000
flat angles P-C4'-P energy: -18.689
tors. eta vs tors. theta energy: -28.263
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: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -348.802023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.802023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.802023 (E_RNA)
where:
Base-Base interactions energy: -248.756
where: short stacking energy: -87.563
Base-Backbone interact. energy: -0.054
local terms energy: -99.992347
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -24.891
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: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -338.860146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.860146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.860146 (E_RNA)
where:
Base-Base interactions energy: -233.316
where: short stacking energy: -94.450
Base-Backbone interact. energy: -0.733
local terms energy: -104.810649
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -26.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -348.398581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.398581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.398581 (E_RNA)
where:
Base-Base interactions energy: -239.884
where: short stacking energy: -98.374
Base-Backbone interact. energy: -0.026
local terms energy: -108.488988
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -26.806
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: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -322.435572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.435572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.435572 (E_RNA)
where:
Base-Base interactions energy: -225.059
where: short stacking energy: -90.709
Base-Backbone interact. energy: 1.366
local terms energy: -98.742422
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -16.632
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: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -330.814428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.814428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.814428 (E_RNA)
where:
Base-Base interactions energy: -232.798
where: short stacking energy: -92.626
Base-Backbone interact. energy: -0.005
local terms energy: -98.010916
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -25.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -319.510979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.510979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.510979 (E_RNA)
where:
Base-Base interactions energy: -233.586
where: short stacking energy: -88.932
Base-Backbone interact. energy: -0.156
local terms energy: -85.769117
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -23.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -207.973744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.973744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.973744 (E_RNA)
where:
Base-Base interactions energy: -136.060
where: short stacking energy: -58.551
Base-Backbone interact. energy: -0.306
local terms energy: -71.607697
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -3.971
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: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -121.012378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.012378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.012378 (E_RNA)
where:
Base-Base interactions energy: -51.588
where: short stacking energy: -40.340
Base-Backbone interact. energy: -0.159
local terms energy: -69.265156
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -111.108594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.108594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.108594 (E_RNA)
where:
Base-Base interactions energy: -57.801
where: short stacking energy: -37.624
Base-Backbone interact. energy: -0.327
local terms energy: -52.979764
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -357.221973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.221973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.221973 (E_RNA)
where:
Base-Base interactions energy: -245.465
where: short stacking energy: -103.352
Base-Backbone interact. energy: -0.017
local terms energy: -111.739591
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -29.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -350.721724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.721724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.721724 (E_RNA)
where:
Base-Base interactions energy: -255.013
where: short stacking energy: -91.572
Base-Backbone interact. energy: 0.467
local terms energy: -96.175732
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -24.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -347.263829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.263829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.263829 (E_RNA)
where:
Base-Base interactions energy: -245.731
where: short stacking energy: -97.097
Base-Backbone interact. energy: -0.007
local terms energy: -101.526039
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -21.522
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -26.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -343.930494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.930494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.930494 (E_RNA)
where:
Base-Base interactions energy: -247.806
where: short stacking energy: -98.618
Base-Backbone interact. energy: -0.365
local terms energy: -95.760172
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -23.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -325.373984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.373984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.373984 (E_RNA)
where:
Base-Base interactions energy: -233.285
where: short stacking energy: -101.507
Base-Backbone interact. energy: 3.666
local terms energy: -95.754738
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -28.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -323.265460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.265460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.265460 (E_RNA)
where:
Base-Base interactions energy: -229.634
where: short stacking energy: -92.260
Base-Backbone interact. energy: -0.043
local terms energy: -93.588632
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -309.096753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.096753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.096753 (E_RNA)
where:
Base-Base interactions energy: -233.845
where: short stacking energy: -88.452
Base-Backbone interact. energy: -0.718
local terms energy: -74.533591
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -10.079
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -21.596
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: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -189.673728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.673728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.673728 (E_RNA)
where:
Base-Base interactions energy: -115.422
where: short stacking energy: -57.732
Base-Backbone interact. energy: -0.579
local terms energy: -73.672505
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -6.035
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: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -154.870460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.870460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.870460 (E_RNA)
where:
Base-Base interactions energy: -78.134
where: short stacking energy: -36.930
Base-Backbone interact. energy: -0.296
local terms energy: -76.440405
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -107.453185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.453185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.453185 (E_RNA)
where:
Base-Base interactions energy: -50.851
where: short stacking energy: -48.943
Base-Backbone interact. energy: -0.653
local terms energy: -55.949122
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -361.096575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.096575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.096575 (E_RNA)
where:
Base-Base interactions energy: -261.346
where: short stacking energy: -95.329
Base-Backbone interact. energy: -0.084
local terms energy: -99.666868
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -22.024
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: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -345.555788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.555788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.555788 (E_RNA)
where:
Base-Base interactions energy: -240.313
where: short stacking energy: -99.178
Base-Backbone interact. energy: -0.001
local terms energy: -105.241180
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -26.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -342.126937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.126937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.126937 (E_RNA)
where:
Base-Base interactions energy: -241.075
where: short stacking energy: -102.967
Base-Backbone interact. energy: -0.110
local terms energy: -100.941893
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -23.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -347.818043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.818043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.818043 (E_RNA)
where:
Base-Base interactions energy: -243.039
where: short stacking energy: -102.692
Base-Backbone interact. energy: -0.006
local terms energy: -104.773289
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -17.843
tors. eta vs tors. theta energy: -29.362
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: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -330.896867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.896867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.896867 (E_RNA)
where:
Base-Base interactions energy: -232.768
where: short stacking energy: -94.365
Base-Backbone interact. energy: -0.118
local terms energy: -98.010472
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -21.167
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: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -320.423278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.423278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.423278 (E_RNA)
where:
Base-Base interactions energy: -232.321
where: short stacking energy: -91.233
Base-Backbone interact. energy: -0.452
local terms energy: -87.650075
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -20.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -305.758130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.758130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.758130 (E_RNA)
where:
Base-Base interactions energy: -212.868
where: short stacking energy: -83.019
Base-Backbone interact. energy: -0.135
local terms energy: -92.755056
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -18.252
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: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -185.592079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.592079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.592079 (E_RNA)
where:
Base-Base interactions energy: -113.676
where: short stacking energy: -59.966
Base-Backbone interact. energy: -1.238
local terms energy: -70.677816
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -136.465107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.465107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.465107 (E_RNA)
where:
Base-Base interactions energy: -67.945
where: short stacking energy: -38.845
Base-Backbone interact. energy: -0.083
local terms energy: -68.437199
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -10.579
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: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -97.647461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.647461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.647461 (E_RNA)
where:
Base-Base interactions energy: -46.321
where: short stacking energy: -28.804
Base-Backbone interact. energy: 0.493
local terms energy: -51.819397
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -8.276
flat angles P-C4'-P energy: -13.141
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: 457
Temperature: 0.900000
Total energy: -362.851010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.851010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.851010 (E_RNA)
where:
Base-Base interactions energy: -256.337
where: short stacking energy: -90.132
Base-Backbone interact. energy: -0.199
local terms energy: -106.315721
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -22.258
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -347.469838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.469838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.469838 (E_RNA)
where:
Base-Base interactions energy: -243.772
where: short stacking energy: -92.904
Base-Backbone interact. energy: -0.304
local terms energy: -103.393895
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -22.994
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -25.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -350.411652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.411652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.411652 (E_RNA)
where:
Base-Base interactions energy: -243.625
where: short stacking energy: -90.771
Base-Backbone interact. energy: -0.588
local terms energy: -106.199491
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -25.383
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -16.396
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: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -338.647130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.647130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.647130 (E_RNA)
where:
Base-Base interactions energy: -235.278
where: short stacking energy: -98.486
Base-Backbone interact. energy: -0.087
local terms energy: -103.281693
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -23.816
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -25.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -346.555338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.555338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.555338 (E_RNA)
where:
Base-Base interactions energy: -241.940
where: short stacking energy: -100.841
Base-Backbone interact. energy: -0.478
local terms energy: -104.137965
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -29.306
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: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -333.661657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.661657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.661657 (E_RNA)
where:
Base-Base interactions energy: -244.769
where: short stacking energy: -89.641
Base-Backbone interact. energy: -0.025
local terms energy: -88.867590
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -18.599
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -317.508960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.508960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.508960 (E_RNA)
where:
Base-Base interactions energy: -216.832
where: short stacking energy: -90.631
Base-Backbone interact. energy: -0.025
local terms energy: -100.651930
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -22.243
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -29.732
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: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -194.878118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.878118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.878118 (E_RNA)
where:
Base-Base interactions energy: -124.439
where: short stacking energy: -56.276
Base-Backbone interact. energy: -0.814
local terms energy: -69.624508
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -10.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -105.176150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.176150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.176150 (E_RNA)
where:
Base-Base interactions energy: -33.445
where: short stacking energy: -23.223
Base-Backbone interact. energy: -0.079
local terms energy: -71.651822
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -97.584473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.584473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.584473 (E_RNA)
where:
Base-Base interactions energy: -39.455
where: short stacking energy: -39.455
Base-Backbone interact. energy: -0.368
local terms energy: -57.761294
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -11.440
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: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -364.713865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.713865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.713865 (E_RNA)
where:
Base-Base interactions energy: -258.099
where: short stacking energy: -101.600
Base-Backbone interact. energy: -0.248
local terms energy: -106.366390
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: -22.766
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: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -343.430552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.430552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.430552 (E_RNA)
where:
Base-Base interactions energy: -240.073
where: short stacking energy: -93.151
Base-Backbone interact. energy: -0.054
local terms energy: -103.304100
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -22.591
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -27.405
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: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -341.653816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.653816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.653816 (E_RNA)
where:
Base-Base interactions energy: -245.592
where: short stacking energy: -102.360
Base-Backbone interact. energy: -0.080
local terms energy: -95.981313
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -21.964
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -20.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -326.035666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.035666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.035666 (E_RNA)
where:
Base-Base interactions energy: -226.438
where: short stacking energy: -95.551
Base-Backbone interact. energy: -0.539
local terms energy: -99.058323
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -19.752
tors. eta vs tors. theta energy: -21.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -329.481451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.481451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.481451 (E_RNA)
where:
Base-Base interactions energy: -236.415
where: short stacking energy: -105.989
Base-Backbone interact. energy: -0.276
local terms energy: -92.790522
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -24.716
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: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -319.309731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.309731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.309731 (E_RNA)
where:
Base-Base interactions energy: -225.433
where: short stacking energy: -82.181
Base-Backbone interact. energy: -0.336
local terms energy: -93.540720
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -24.611
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -20.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -323.392480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.392480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.392480 (E_RNA)
where:
Base-Base interactions energy: -225.402
where: short stacking energy: -99.320
Base-Backbone interact. energy: -0.374
local terms energy: -97.615654
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -22.565
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -24.961
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: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -224.452109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.452109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.452109 (E_RNA)
where:
Base-Base interactions energy: -142.201
where: short stacking energy: -72.198
Base-Backbone interact. energy: -0.794
local terms energy: -81.457972
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -14.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -109.260715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.260715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.260715 (E_RNA)
where:
Base-Base interactions energy: -42.003
where: short stacking energy: -39.507
Base-Backbone interact. energy: -1.626
local terms energy: -65.631749
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -4.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -103.887077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.887077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.887077 (E_RNA)
where:
Base-Base interactions energy: -43.465
where: short stacking energy: -34.598
Base-Backbone interact. energy: -0.288
local terms energy: -60.134536
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -361.582561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.582561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.582561 (E_RNA)
where:
Base-Base interactions energy: -254.071
where: short stacking energy: -99.012
Base-Backbone interact. energy: -0.313
local terms energy: -107.198322
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -25.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -349.736863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.736863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.736863 (E_RNA)
where:
Base-Base interactions energy: -243.657
where: short stacking energy: -97.152
Base-Backbone interact. energy: 1.188
local terms energy: -107.267761
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -22.349
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -28.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -339.060885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.060885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.060885 (E_RNA)
where:
Base-Base interactions energy: -235.239
where: short stacking energy: -101.764
Base-Backbone interact. energy: -0.598
local terms energy: -103.224268
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -28.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -322.587539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.587539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.587539 (E_RNA)
where:
Base-Base interactions energy: -229.637
where: short stacking energy: -93.950
Base-Backbone interact. energy: -0.108
local terms energy: -92.842562
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -24.362
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: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -319.711166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.711166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.711166 (E_RNA)
where:
Base-Base interactions energy: -224.835
where: short stacking energy: -92.475
Base-Backbone interact. energy: -1.292
local terms energy: -93.583948
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -26.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -326.504809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.504809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.504809 (E_RNA)
where:
Base-Base interactions energy: -229.991
where: short stacking energy: -103.613
Base-Backbone interact. energy: -0.006
local terms energy: -96.508234
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -16.353
tors. eta vs tors. theta energy: -25.271
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: 459
Temperature: 1.200000
Total energy: -309.794776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.794776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.794776 (E_RNA)
where:
Base-Base interactions energy: -216.831
where: short stacking energy: -91.271
Base-Backbone interact. energy: -0.076
local terms energy: -92.888025
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -22.249
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: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -208.991874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.991874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.991874 (E_RNA)
where:
Base-Base interactions energy: -131.761
where: short stacking energy: -69.285
Base-Backbone interact. energy: -0.441
local terms energy: -76.789756
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -13.548
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: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -110.517106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.517106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.517106 (E_RNA)
where:
Base-Base interactions energy: -51.056
where: short stacking energy: -39.305
Base-Backbone interact. energy: -0.242
local terms energy: -59.219551
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -106.309224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.309224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.309224 (E_RNA)
where:
Base-Base interactions energy: -40.663
where: short stacking energy: -38.583
Base-Backbone interact. energy: -0.356
local terms energy: -65.289903
where:
bonds (distance) C4'-P energy: -20.721
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -8.876
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -6.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -365.328982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.328982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.328982 (E_RNA)
where:
Base-Base interactions energy: -263.375
where: short stacking energy: -99.848
Base-Backbone interact. energy: -0.457
local terms energy: -101.497348
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -347.636767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.636767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.636767 (E_RNA)
where:
Base-Base interactions energy: -241.215
where: short stacking energy: -92.920
Base-Backbone interact. energy: -0.309
local terms energy: -106.112438
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -25.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -330.247224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.247224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.247224 (E_RNA)
where:
Base-Base interactions energy: -234.362
where: short stacking energy: -92.685
Base-Backbone interact. energy: -0.694
local terms energy: -95.190939
where:
bonds (distance) C4'-P energy: -19.674
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -24.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -333.956319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.956319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.956319 (E_RNA)
where:
Base-Base interactions energy: -239.380
where: short stacking energy: -94.719
Base-Backbone interact. energy: -0.202
local terms energy: -94.373512
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -25.035
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: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -322.597916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.597916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.597916 (E_RNA)
where:
Base-Base interactions energy: -221.544
where: short stacking energy: -96.633
Base-Backbone interact. energy: -0.230
local terms energy: -100.823887
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -25.094
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: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -322.536895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.536895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.536895 (E_RNA)
where:
Base-Base interactions energy: -228.092
where: short stacking energy: -96.549
Base-Backbone interact. energy: -0.092
local terms energy: -94.352939
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -321.753162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.753162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.753162 (E_RNA)
where:
Base-Base interactions energy: -220.310
where: short stacking energy: -88.052
Base-Backbone interact. energy: -0.068
local terms energy: -101.375410
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -22.724
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -24.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -229.391190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.391190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.391190 (E_RNA)
where:
Base-Base interactions energy: -159.997
where: short stacking energy: -55.282
Base-Backbone interact. energy: -1.146
local terms energy: -68.248208
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -113.345273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.345273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.345273 (E_RNA)
where:
Base-Base interactions energy: -55.133
where: short stacking energy: -37.576
Base-Backbone interact. energy: -0.340
local terms energy: -57.871526
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -114.379183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.379183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.379183 (E_RNA)
where:
Base-Base interactions energy: -51.936
where: short stacking energy: -34.142
Base-Backbone interact. energy: -0.046
local terms energy: -62.397156
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -358.944621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.944621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.944621 (E_RNA)
where:
Base-Base interactions energy: -259.802
where: short stacking energy: -87.532
Base-Backbone interact. energy: -0.958
local terms energy: -98.185419
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -22.102
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: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -347.835965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.835965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.835965 (E_RNA)
where:
Base-Base interactions energy: -247.228
where: short stacking energy: -98.120
Base-Backbone interact. energy: 1.989
local terms energy: -102.597244
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -26.284
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: 461
Temperature: 1.000000
Total energy: -342.398016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.398016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.398016 (E_RNA)
where:
Base-Base interactions energy: -239.554
where: short stacking energy: -99.608
Base-Backbone interact. energy: -0.195
local terms energy: -102.649504
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: -28.049
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: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -327.454405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.454405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.454405 (E_RNA)
where:
Base-Base interactions energy: -232.983
where: short stacking energy: -95.683
Base-Backbone interact. energy: -0.024
local terms energy: -94.446919
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -25.539
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: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -328.592500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.592500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.592500 (E_RNA)
where:
Base-Base interactions energy: -226.109
where: short stacking energy: -93.922
Base-Backbone interact. energy: 0.318
local terms energy: -102.800918
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -24.332
flat angles P-C4'-P energy: -16.846
tors. eta vs tors. theta energy: -26.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -325.886902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.886902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.886902 (E_RNA)
where:
Base-Base interactions energy: -233.913
where: short stacking energy: -99.817
Base-Backbone interact. energy: 1.391
local terms energy: -93.364752
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -22.117
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -24.057
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: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -313.312229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.312229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.312229 (E_RNA)
where:
Base-Base interactions energy: -224.515
where: short stacking energy: -92.837
Base-Backbone interact. energy: 0.394
local terms energy: -89.191720
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -275.588173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.588173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.588173 (E_RNA)
where:
Base-Base interactions energy: -188.151
where: short stacking energy: -73.738
Base-Backbone interact. energy: -0.232
local terms energy: -87.205244
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -14.363
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: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -105.270164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.270164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.270164 (E_RNA)
where:
Base-Base interactions energy: -52.869
where: short stacking energy: -39.756
Base-Backbone interact. energy: 0.641
local terms energy: -53.042361
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -20.658
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: 3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -106.180327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.180327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.180327 (E_RNA)
where:
Base-Base interactions energy: -45.473
where: short stacking energy: -33.295
Base-Backbone interact. energy: -2.001
local terms energy: -58.706180
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: 3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -361.331024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.331024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.331024 (E_RNA)
where:
Base-Base interactions energy: -263.128
where: short stacking energy: -91.672
Base-Backbone interact. energy: -0.994
local terms energy: -97.209099
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -20.723
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: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -346.268360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.268360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.268360 (E_RNA)
where:
Base-Base interactions energy: -232.772
where: short stacking energy: -101.670
Base-Backbone interact. energy: -2.233
local terms energy: -111.263021
where:
bonds (distance) C4'-P energy: -22.517
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -23.299
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -29.124
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: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -341.452136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.452136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.452136 (E_RNA)
where:
Base-Base interactions energy: -239.974
where: short stacking energy: -99.609
Base-Backbone interact. energy: 0.612
local terms energy: -102.090112
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -26.605
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: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -336.043307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.043307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.043307 (E_RNA)
where:
Base-Base interactions energy: -245.570
where: short stacking energy: -84.220
Base-Backbone interact. energy: -0.114
local terms energy: -90.359098
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -17.227
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: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -333.597665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.597665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.597665 (E_RNA)
where:
Base-Base interactions energy: -241.272
where: short stacking energy: -95.233
Base-Backbone interact. energy: -0.307
local terms energy: -92.018740
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -22.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -333.405797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.405797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.405797 (E_RNA)
where:
Base-Base interactions energy: -242.162
where: short stacking energy: -95.473
Base-Backbone interact. energy: 0.026
local terms energy: -91.269699
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -23.626
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: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -310.526201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.526201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.526201 (E_RNA)
where:
Base-Base interactions energy: -223.187
where: short stacking energy: -79.862
Base-Backbone interact. energy: -0.110
local terms energy: -87.229830
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -22.303
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: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -308.120168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.120168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.120168 (E_RNA)
where:
Base-Base interactions energy: -214.143
where: short stacking energy: -85.695
Base-Backbone interact. energy: -0.168
local terms energy: -93.809239
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -107.227634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.227634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.227634 (E_RNA)
where:
Base-Base interactions energy: -41.062
where: short stacking energy: -38.680
Base-Backbone interact. energy: -0.184
local terms energy: -65.982090
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -120.759646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.759646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.759646 (E_RNA)
where:
Base-Base interactions energy: -53.516
where: short stacking energy: -39.164
Base-Backbone interact. energy: -0.237
local terms energy: -67.006418
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -361.494762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.494762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.494762 (E_RNA)
where:
Base-Base interactions energy: -253.747
where: short stacking energy: -93.245
Base-Backbone interact. energy: -0.442
local terms energy: -107.305840
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -26.000
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -339.392106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.392106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.392106 (E_RNA)
where:
Base-Base interactions energy: -235.563
where: short stacking energy: -104.561
Base-Backbone interact. energy: -0.014
local terms energy: -103.815073
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -29.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -345.109517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.109517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.109517 (E_RNA)
where:
Base-Base interactions energy: -243.131
where: short stacking energy: -102.924
Base-Backbone interact. energy: -0.459
local terms energy: -101.519094
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -29.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -336.664674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.664674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.664674 (E_RNA)
where:
Base-Base interactions energy: -237.625
where: short stacking energy: -93.447
Base-Backbone interact. energy: -0.463
local terms energy: -98.576489
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -26.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -331.629112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.629112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.629112 (E_RNA)
where:
Base-Base interactions energy: -239.580
where: short stacking energy: -89.612
Base-Backbone interact. energy: -1.170
local terms energy: -90.879434
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -23.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -329.347788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.347788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.347788 (E_RNA)
where:
Base-Base interactions energy: -242.000
where: short stacking energy: -90.323
Base-Backbone interact. energy: -0.035
local terms energy: -87.312835
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -307.836298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.836298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.836298 (E_RNA)
where:
Base-Base interactions energy: -219.207
where: short stacking energy: -79.059
Base-Backbone interact. energy: -0.498
local terms energy: -88.130852
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -307.447862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.447862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.447862 (E_RNA)
where:
Base-Base interactions energy: -222.900
where: short stacking energy: -78.659
Base-Backbone interact. energy: -0.188
local terms energy: -84.359917
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -17.288
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -116.100363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.100363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.100363 (E_RNA)
where:
Base-Base interactions energy: -52.471
where: short stacking energy: -36.175
Base-Backbone interact. energy: 0.265
local terms energy: -63.894612
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -124.848675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.848675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.848675 (E_RNA)
where:
Base-Base interactions energy: -54.370
where: short stacking energy: -29.844
Base-Backbone interact. energy: -0.010
local terms energy: -70.468415
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -1.094
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: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -356.022666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.022666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.022666 (E_RNA)
where:
Base-Base interactions energy: -253.099
where: short stacking energy: -103.013
Base-Backbone interact. energy: -0.063
local terms energy: -102.860500
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -352.232083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.232083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.232083 (E_RNA)
where:
Base-Base interactions energy: -253.838
where: short stacking energy: -89.229
Base-Backbone interact. energy: -1.017
local terms energy: -97.376486
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -344.089480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.089480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.089480 (E_RNA)
where:
Base-Base interactions energy: -244.506
where: short stacking energy: -101.102
Base-Backbone interact. energy: -1.410
local terms energy: -98.172948
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: -26.594
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: 464
Temperature: 1.050000
Total energy: -335.385348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.385348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.385348 (E_RNA)
where:
Base-Base interactions energy: -242.588
where: short stacking energy: -85.028
Base-Backbone interact. energy: -0.642
local terms energy: -92.154618
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -321.203577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.203577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.203577 (E_RNA)
where:
Base-Base interactions energy: -224.062
where: short stacking energy: -88.143
Base-Backbone interact. energy: -0.422
local terms energy: -96.719483
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -26.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -328.326599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.326599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.326599 (E_RNA)
where:
Base-Base interactions energy: -235.019
where: short stacking energy: -96.704
Base-Backbone interact. energy: -0.241
local terms energy: -93.067111
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -22.622
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: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -324.946325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.946325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.946325 (E_RNA)
where:
Base-Base interactions energy: -236.421
where: short stacking energy: -87.821
Base-Backbone interact. energy: -0.107
local terms energy: -88.418801
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -303.969893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.969893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.969893 (E_RNA)
where:
Base-Base interactions energy: -223.428
where: short stacking energy: -83.927
Base-Backbone interact. energy: -0.184
local terms energy: -80.357500
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -10.602
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: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -110.335707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.335707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.335707 (E_RNA)
where:
Base-Base interactions energy: -44.961
where: short stacking energy: -36.974
Base-Backbone interact. energy: -0.200
local terms energy: -65.174334
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -100.756290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.756290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.756290 (E_RNA)
where:
Base-Base interactions energy: -33.521
where: short stacking energy: -27.646
Base-Backbone interact. energy: -1.030
local terms energy: -66.205543
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -353.879461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.879461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.879461 (E_RNA)
where:
Base-Base interactions energy: -252.732
where: short stacking energy: -100.630
Base-Backbone interact. energy: -1.318
local terms energy: -99.829676
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -23.137
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -25.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -346.163321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.163321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.163321 (E_RNA)
where:
Base-Base interactions energy: -254.125
where: short stacking energy: -101.099
Base-Backbone interact. energy: -0.819
local terms energy: -91.218696
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -22.756
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: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -350.781477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.781477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.781477 (E_RNA)
where:
Base-Base interactions energy: -250.777
where: short stacking energy: -104.418
Base-Backbone interact. energy: -0.296
local terms energy: -99.708975
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -25.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -334.695584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.695584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.695584 (E_RNA)
where:
Base-Base interactions energy: -240.727
where: short stacking energy: -90.458
Base-Backbone interact. energy: -0.726
local terms energy: -93.242540
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -343.072241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.072241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.072241 (E_RNA)
where:
Base-Base interactions energy: -242.354
where: short stacking energy: -100.915
Base-Backbone interact. energy: -0.320
local terms energy: -100.398506
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -25.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -324.945490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.945490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.945490 (E_RNA)
where:
Base-Base interactions energy: -223.773
where: short stacking energy: -90.982
Base-Backbone interact. energy: -0.007
local terms energy: -101.165743
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -28.018
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: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -311.856261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.856261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.856261 (E_RNA)
where:
Base-Base interactions energy: -230.242
where: short stacking energy: -84.193
Base-Backbone interact. energy: 0.590
local terms energy: -82.204820
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -20.104
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -17.415
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: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -316.385046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.385046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.385046 (E_RNA)
where:
Base-Base interactions energy: -222.149
where: short stacking energy: -97.748
Base-Backbone interact. energy: -0.050
local terms energy: -94.186008
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -31.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -126.064937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.064937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.064937 (E_RNA)
where:
Base-Base interactions energy: -47.537
where: short stacking energy: -38.634
Base-Backbone interact. energy: -0.090
local terms energy: -78.437862
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -9.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -102.707458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.707458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.707458 (E_RNA)
where:
Base-Base interactions energy: -39.914
where: short stacking energy: -39.375
Base-Backbone interact. energy: -0.133
local terms energy: -62.660610
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -3.804
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -354.791611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.791611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.791611 (E_RNA)
where:
Base-Base interactions energy: -255.051
where: short stacking energy: -98.557
Base-Backbone interact. energy: -0.390
local terms energy: -99.350041
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -24.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -350.831623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.831623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.831623 (E_RNA)
where:
Base-Base interactions energy: -251.480
where: short stacking energy: -98.412
Base-Backbone interact. energy: -0.014
local terms energy: -99.338062
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -19.125
tors. eta vs tors. theta energy: -26.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -342.882617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.882617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.882617 (E_RNA)
where:
Base-Base interactions energy: -245.431
where: short stacking energy: -106.334
Base-Backbone interact. energy: 0.082
local terms energy: -97.533434
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -25.882
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: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -339.405155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.405155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.405155 (E_RNA)
where:
Base-Base interactions energy: -243.420
where: short stacking energy: -93.206
Base-Backbone interact. energy: -1.620
local terms energy: -94.365460
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -10.898
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: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -324.822369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.822369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.822369 (E_RNA)
where:
Base-Base interactions energy: -230.721
where: short stacking energy: -97.935
Base-Backbone interact. energy: -0.102
local terms energy: -93.999915
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -326.701453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.701453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.701453 (E_RNA)
where:
Base-Base interactions energy: -236.157
where: short stacking energy: -91.525
Base-Backbone interact. energy: 2.342
local terms energy: -92.885651
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -23.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -317.985857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.985857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.985857 (E_RNA)
where:
Base-Base interactions energy: -219.867
where: short stacking energy: -95.879
Base-Backbone interact. energy: -0.035
local terms energy: -98.084265
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -26.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -301.080347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.080347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.080347 (E_RNA)
where:
Base-Base interactions energy: -223.347
where: short stacking energy: -82.714
Base-Backbone interact. energy: -0.145
local terms energy: -77.588575
where:
bonds (distance) C4'-P energy: -18.789
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -19.012
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -111.635188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.635188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.635188 (E_RNA)
where:
Base-Base interactions energy: -44.337
where: short stacking energy: -42.121
Base-Backbone interact. energy: 0.869
local terms energy: -68.167202
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -8.409
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: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -140.494852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.494852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.494852 (E_RNA)
where:
Base-Base interactions energy: -85.821
where: short stacking energy: -25.917
Base-Backbone interact. energy: -1.179
local terms energy: -53.494021
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: 6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -350.748527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.748527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.748527 (E_RNA)
where:
Base-Base interactions energy: -260.414
where: short stacking energy: -100.511
Base-Backbone interact. energy: -0.400
local terms energy: -89.934120
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -25.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -354.898451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.898451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.898451 (E_RNA)
where:
Base-Base interactions energy: -252.321
where: short stacking energy: -99.704
Base-Backbone interact. energy: -0.079
local terms energy: -102.498433
where:
bonds (distance) C4'-P energy: -20.136
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -25.023
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: 467
Temperature: 1.000000
Total energy: -345.699109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.699109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.699109 (E_RNA)
where:
Base-Base interactions energy: -247.116
where: short stacking energy: -100.234
Base-Backbone interact. energy: -0.847
local terms energy: -97.736830
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -21.095
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -28.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -345.737967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.737967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.737967 (E_RNA)
where:
Base-Base interactions energy: -252.219
where: short stacking energy: -90.561
Base-Backbone interact. energy: -0.085
local terms energy: -93.434421
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -15.780
tors. eta vs tors. theta energy: -21.262
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: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -328.972402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.972402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.972402 (E_RNA)
where:
Base-Base interactions energy: -225.680
where: short stacking energy: -83.375
Base-Backbone interact. energy: -2.945
local terms energy: -100.347083
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -323.673966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.673966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.673966 (E_RNA)
where:
Base-Base interactions energy: -239.339
where: short stacking energy: -87.629
Base-Backbone interact. energy: -0.445
local terms energy: -83.890314
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -15.457
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: 7, replica: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -323.268196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.268196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.268196 (E_RNA)
where:
Base-Base interactions energy: -230.575
where: short stacking energy: -87.345
Base-Backbone interact. energy: -0.393
local terms energy: -92.299692
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -14.458
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: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -310.886369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.886369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.886369 (E_RNA)
where:
Base-Base interactions energy: -225.684
where: short stacking energy: -88.584
Base-Backbone interact. energy: -0.250
local terms energy: -84.952272
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -138.619712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.619712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.619712 (E_RNA)
where:
Base-Base interactions energy: -70.928
where: short stacking energy: -44.660
Base-Backbone interact. energy: -0.673
local terms energy: -67.019514
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -17.773
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -133.306758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.306758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.306758 (E_RNA)
where:
Base-Base interactions energy: -60.089
where: short stacking energy: -33.191
Base-Backbone interact. energy: -1.154
local terms energy: -72.064297
where:
bonds (distance) C4'-P energy: -17.581
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -359.679987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.679987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.679987 (E_RNA)
where:
Base-Base interactions energy: -256.514
where: short stacking energy: -98.600
Base-Backbone interact. energy: -2.598
local terms energy: -100.568014
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -356.492514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.492514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.492514 (E_RNA)
where:
Base-Base interactions energy: -251.402
where: short stacking energy: -97.629
Base-Backbone interact. energy: -0.683
local terms energy: -104.407338
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -25.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -340.282092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.282092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.282092 (E_RNA)
where:
Base-Base interactions energy: -236.519
where: short stacking energy: -91.862
Base-Backbone interact. energy: -0.102
local terms energy: -103.660897
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -18.170
tors. eta vs tors. theta energy: -22.044
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: 468
Temperature: 1.050000
Total energy: -347.180313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.180313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.180313 (E_RNA)
where:
Base-Base interactions energy: -244.608
where: short stacking energy: -99.887
Base-Backbone interact. energy: -0.289
local terms energy: -102.283216
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -27.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -325.521634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.521634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.521634 (E_RNA)
where:
Base-Base interactions energy: -240.817
where: short stacking energy: -82.351
Base-Backbone interact. energy: -1.343
local terms energy: -83.361856
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -13.131
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: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -293.426584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.426584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.426584 (E_RNA)
where:
Base-Base interactions energy: -204.245
where: short stacking energy: -90.098
Base-Backbone interact. energy: -2.005
local terms energy: -87.177559
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -23.045
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: 468
Temperature: 1.200000
Total energy: -316.450970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.450970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.450970 (E_RNA)
where:
Base-Base interactions energy: -228.492
where: short stacking energy: -91.162
Base-Backbone interact. energy: -0.121
local terms energy: -87.837425
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -309.823690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.823690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.823690 (E_RNA)
where:
Base-Base interactions energy: -231.259
where: short stacking energy: -93.726
Base-Backbone interact. energy: -1.002
local terms energy: -77.562834
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -15.032
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: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -119.421197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.421197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.421197 (E_RNA)
where:
Base-Base interactions energy: -44.865
where: short stacking energy: -42.668
Base-Backbone interact. energy: -0.210
local terms energy: -74.345898
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -9.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -131.113498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.113498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.113498 (E_RNA)
where:
Base-Base interactions energy: -62.792
where: short stacking energy: -48.193
Base-Backbone interact. energy: -0.193
local terms energy: -68.128556
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -354.781985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.781985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.781985 (E_RNA)
where:
Base-Base interactions energy: -256.604
where: short stacking energy: -99.395
Base-Backbone interact. energy: -0.328
local terms energy: -97.849569
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -23.134
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -26.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -353.934659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.934659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.934659 (E_RNA)
where:
Base-Base interactions energy: -247.889
where: short stacking energy: -92.671
Base-Backbone interact. energy: -0.098
local terms energy: -105.947274
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -16.853
tors. eta vs tors. theta energy: -23.362
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: 469
Temperature: 1.000000
Total energy: -351.585860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.585860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.585860 (E_RNA)
where:
Base-Base interactions energy: -253.721
where: short stacking energy: -99.571
Base-Backbone interact. energy: -0.334
local terms energy: -97.530514
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -26.178
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: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -335.618387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.618387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.618387 (E_RNA)
where:
Base-Base interactions energy: -244.380
where: short stacking energy: -90.993
Base-Backbone interact. energy: -1.015
local terms energy: -90.223147
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -19.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -345.519472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.519472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.519472 (E_RNA)
where:
Base-Base interactions energy: -249.385
where: short stacking energy: -93.346
Base-Backbone interact. energy: -0.040
local terms energy: -96.094637
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -20.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -323.246696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.246696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.246696 (E_RNA)
where:
Base-Base interactions energy: -235.248
where: short stacking energy: -97.655
Base-Backbone interact. energy: 0.701
local terms energy: -88.699353
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -287.967436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.967436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.967436 (E_RNA)
where:
Base-Base interactions energy: -196.269
where: short stacking energy: -77.280
Base-Backbone interact. energy: -0.151
local terms energy: -91.547219
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -318.673973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.673973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.673973 (E_RNA)
where:
Base-Base interactions energy: -230.583
where: short stacking energy: -90.395
Base-Backbone interact. energy: -0.447
local terms energy: -87.644368
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -21.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -112.007082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.007082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.007082 (E_RNA)
where:
Base-Base interactions energy: -42.620
where: short stacking energy: -34.370
Base-Backbone interact. energy: -0.146
local terms energy: -69.241565
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -11.659
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: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -144.448243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.448243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.448243 (E_RNA)
where:
Base-Base interactions energy: -73.373
where: short stacking energy: -40.664
Base-Backbone interact. energy: -1.470
local terms energy: -69.605315
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -362.936239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.936239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.936239 (E_RNA)
where:
Base-Base interactions energy: -254.099
where: short stacking energy: -96.749
Base-Backbone interact. energy: -0.387
local terms energy: -108.450609
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -26.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -350.950420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.950420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.950420 (E_RNA)
where:
Base-Base interactions energy: -249.389
where: short stacking energy: -95.481
Base-Backbone interact. energy: -0.758
local terms energy: -100.803712
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -26.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -345.975245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.975245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.975245 (E_RNA)
where:
Base-Base interactions energy: -256.690
where: short stacking energy: -93.521
Base-Backbone interact. energy: -0.775
local terms energy: -88.510275
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -17.469
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: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -347.017148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.017148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.017148 (E_RNA)
where:
Base-Base interactions energy: -247.167
where: short stacking energy: -88.150
Base-Backbone interact. energy: 0.644
local terms energy: -100.494246
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -22.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -334.575393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.575393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.575393 (E_RNA)
where:
Base-Base interactions energy: -232.104
where: short stacking energy: -91.876
Base-Backbone interact. energy: -0.812
local terms energy: -101.659750
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -334.539083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.539083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.539083 (E_RNA)
where:
Base-Base interactions energy: -232.882
where: short stacking energy: -95.398
Base-Backbone interact. energy: -0.098
local terms energy: -101.559728
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -27.587
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: 470
Temperature: 1.200000
Total energy: -290.419114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.419114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.419114 (E_RNA)
where:
Base-Base interactions energy: -206.388
where: short stacking energy: -81.739
Base-Backbone interact. energy: -0.105
local terms energy: -83.926251
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -21.866
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: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -293.565933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.565933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.565933 (E_RNA)
where:
Base-Base interactions energy: -210.205
where: short stacking energy: -74.275
Base-Backbone interact. energy: -0.216
local terms energy: -83.144829
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -18.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -113.545405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.545405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.545405 (E_RNA)
where:
Base-Base interactions energy: -45.504
where: short stacking energy: -40.393
Base-Backbone interact. energy: -0.189
local terms energy: -67.852043
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -20.360
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -97.227124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.227124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.227124 (E_RNA)
where:
Base-Base interactions energy: -30.805
where: short stacking energy: -25.886
Base-Backbone interact. energy: -0.583
local terms energy: -65.839190
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -358.582620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.582620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.582620 (E_RNA)
where:
Base-Base interactions energy: -254.147
where: short stacking energy: -101.513
Base-Backbone interact. energy: -0.047
local terms energy: -104.389297
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -23.602
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: 471
Temperature: 0.950000
Total energy: -350.147217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.147217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.147217 (E_RNA)
where:
Base-Base interactions energy: -253.226
where: short stacking energy: -92.166
Base-Backbone interact. energy: -0.962
local terms energy: -95.959608
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -342.949331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.949331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.949331 (E_RNA)
where:
Base-Base interactions energy: -233.502
where: short stacking energy: -94.124
Base-Backbone interact. energy: -0.078
local terms energy: -109.369404
where:
bonds (distance) C4'-P energy: -20.717
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -28.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -319.982102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.982102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.982102 (E_RNA)
where:
Base-Base interactions energy: -228.861
where: short stacking energy: -85.384
Base-Backbone interact. energy: -1.062
local terms energy: -90.059651
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -20.483
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: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -343.435510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.435510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.435510 (E_RNA)
where:
Base-Base interactions energy: -254.842
where: short stacking energy: -97.947
Base-Backbone interact. energy: -0.350
local terms energy: -88.244073
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -328.343314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.343314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.343314 (E_RNA)
where:
Base-Base interactions energy: -236.346
where: short stacking energy: -91.468
Base-Backbone interact. energy: -0.086
local terms energy: -91.911498
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -23.539
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: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -288.997539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.997539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.997539 (E_RNA)
where:
Base-Base interactions energy: -203.283
where: short stacking energy: -83.229
Base-Backbone interact. energy: -0.129
local terms energy: -85.585541
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -21.660
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -22.051
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: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -302.209132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.209132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.209132 (E_RNA)
where:
Base-Base interactions energy: -214.728
where: short stacking energy: -87.559
Base-Backbone interact. energy: 0.686
local terms energy: -88.166905
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -17.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -115.862165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.862165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.862165 (E_RNA)
where:
Base-Base interactions energy: -46.466
where: short stacking energy: -46.466
Base-Backbone interact. energy: 0.588
local terms energy: -69.984741
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -90.353870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.353870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.353870 (E_RNA)
where:
Base-Base interactions energy: -26.720
where: short stacking energy: -16.674
Base-Backbone interact. energy: -0.602
local terms energy: -63.031885
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: 1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -351.601495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.601495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.601495 (E_RNA)
where:
Base-Base interactions energy: -249.584
where: short stacking energy: -96.977
Base-Backbone interact. energy: -0.391
local terms energy: -101.626534
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -19.054
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: 2, replica: 6
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -355.643747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.643747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.643747 (E_RNA)
where:
Base-Base interactions energy: -262.254
where: short stacking energy: -93.722
Base-Backbone interact. energy: 0.925
local terms energy: -94.314864
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -347.252914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.252914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.252914 (E_RNA)
where:
Base-Base interactions energy: -245.492
where: short stacking energy: -93.579
Base-Backbone interact. energy: -0.139
local terms energy: -101.622414
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -28.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -347.407695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.407695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.407695 (E_RNA)
where:
Base-Base interactions energy: -245.635
where: short stacking energy: -102.816
Base-Backbone interact. energy: -0.025
local terms energy: -101.747879
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -26.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -333.680234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.680234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.680234 (E_RNA)
where:
Base-Base interactions energy: -234.096
where: short stacking energy: -88.117
Base-Backbone interact. energy: -0.219
local terms energy: -99.365056
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -24.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -337.951583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.951583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.951583 (E_RNA)
where:
Base-Base interactions energy: -248.411
where: short stacking energy: -98.536
Base-Backbone interact. energy: -0.236
local terms energy: -89.305006
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -20.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -318.161683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.161683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.161683 (E_RNA)
where:
Base-Base interactions energy: -223.536
where: short stacking energy: -84.829
Base-Backbone interact. energy: -0.005
local terms energy: -94.621484
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -26.022
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: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -284.407739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.407739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.407739 (E_RNA)
where:
Base-Base interactions energy: -213.364
where: short stacking energy: -78.469
Base-Backbone interact. energy: 1.110
local terms energy: -72.154096
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -5.973
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: 9, replica: 9
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -93.590207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.590207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.590207 (E_RNA)
where:
Base-Base interactions energy: -47.721
where: short stacking energy: -32.724
Base-Backbone interact. energy: 2.522
local terms energy: -48.391002
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: 4.560
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: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -107.141806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.141806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.141806 (E_RNA)
where:
Base-Base interactions energy: -45.155
where: short stacking energy: -44.652
Base-Backbone interact. energy: -0.394
local terms energy: -61.592146
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -359.332142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.332142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.332142 (E_RNA)
where:
Base-Base interactions energy: -252.556
where: short stacking energy: -95.811
Base-Backbone interact. energy: -0.215
local terms energy: -106.560776
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -22.591
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -25.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -337.946062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.946062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.946062 (E_RNA)
where:
Base-Base interactions energy: -226.074
where: short stacking energy: -98.148
Base-Backbone interact. energy: -0.058
local terms energy: -111.813538
where:
bonds (distance) C4'-P energy: -23.159
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -23.349
flat angles P-C4'-P energy: -16.661
tors. eta vs tors. theta energy: -24.590
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: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -342.233307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.233307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.233307 (E_RNA)
where:
Base-Base interactions energy: -250.947
where: short stacking energy: -86.488
Base-Backbone interact. energy: 0.116
local terms energy: -91.402042
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -339.732561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.732561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.732561 (E_RNA)
where:
Base-Base interactions energy: -244.968
where: short stacking energy: -97.646
Base-Backbone interact. energy: -0.001
local terms energy: -94.764086
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -27.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -339.035473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.035473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.035473 (E_RNA)
where:
Base-Base interactions energy: -242.479
where: short stacking energy: -94.683
Base-Backbone interact. energy: -0.103
local terms energy: -96.453794
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -22.661
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: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -335.123324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.123324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.123324 (E_RNA)
where:
Base-Base interactions energy: -237.962
where: short stacking energy: -88.421
Base-Backbone interact. energy: 0.320
local terms energy: -97.481254
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -23.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -316.686426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.686426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.686426 (E_RNA)
where:
Base-Base interactions energy: -224.651
where: short stacking energy: -85.005
Base-Backbone interact. energy: -0.052
local terms energy: -91.982823
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -22.843
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: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -301.247973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.247973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.247973 (E_RNA)
where:
Base-Base interactions energy: -217.883
where: short stacking energy: -94.530
Base-Backbone interact. energy: -0.157
local terms energy: -83.207913
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -14.525
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: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -129.706862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.706862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.706862 (E_RNA)
where:
Base-Base interactions energy: -65.424
where: short stacking energy: -42.655
Base-Backbone interact. energy: 0.879
local terms energy: -65.162335
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -114.911827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.911827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.911827 (E_RNA)
where:
Base-Base interactions energy: -55.668
where: short stacking energy: -43.636
Base-Backbone interact. energy: -0.410
local terms energy: -58.833897
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -358.243607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.243607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.243607 (E_RNA)
where:
Base-Base interactions energy: -254.510
where: short stacking energy: -105.251
Base-Backbone interact. energy: 0.156
local terms energy: -103.889745
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -29.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -348.910955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.910955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.910955 (E_RNA)
where:
Base-Base interactions energy: -253.217
where: short stacking energy: -93.686
Base-Backbone interact. energy: -0.286
local terms energy: -95.407737
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -23.898
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -27.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -347.397862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.397862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.397862 (E_RNA)
where:
Base-Base interactions energy: -247.363
where: short stacking energy: -89.230
Base-Backbone interact. energy: -0.340
local terms energy: -99.694561
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -23.169
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -332.694457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.694457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.694457 (E_RNA)
where:
Base-Base interactions energy: -235.828
where: short stacking energy: -82.784
Base-Backbone interact. energy: -0.009
local terms energy: -96.857515
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -22.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -332.048981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.048981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.048981 (E_RNA)
where:
Base-Base interactions energy: -240.686
where: short stacking energy: -86.386
Base-Backbone interact. energy: 0.424
local terms energy: -91.786917
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -338.605025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.605025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.605025 (E_RNA)
where:
Base-Base interactions energy: -245.584
where: short stacking energy: -97.024
Base-Backbone interact. energy: -0.386
local terms energy: -92.634553
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -25.117
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: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -307.759920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.759920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.759920 (E_RNA)
where:
Base-Base interactions energy: -223.127
where: short stacking energy: -82.805
Base-Backbone interact. energy: -0.174
local terms energy: -84.459013
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -19.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -320.775313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.775313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.775313 (E_RNA)
where:
Base-Base interactions energy: -225.443
where: short stacking energy: -95.353
Base-Backbone interact. energy: -0.024
local terms energy: -95.308216
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -22.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -114.621797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.621797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.621797 (E_RNA)
where:
Base-Base interactions energy: -59.490
where: short stacking energy: -40.833
Base-Backbone interact. energy: 1.401
local terms energy: -56.532836
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: 1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -102.841517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.841517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.841517 (E_RNA)
where:
Base-Base interactions energy: -40.520
where: short stacking energy: -30.949
Base-Backbone interact. energy: -0.103
local terms energy: -62.218641
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -356.578437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.578437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.578437 (E_RNA)
where:
Base-Base interactions energy: -247.558
where: short stacking energy: -104.781
Base-Backbone interact. energy: -0.097
local terms energy: -108.923442
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -28.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -355.222467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.222467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.222467 (E_RNA)
where:
Base-Base interactions energy: -253.073
where: short stacking energy: -94.421
Base-Backbone interact. energy: -0.233
local terms energy: -101.915859
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -19.257
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: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -348.690213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.690213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.690213 (E_RNA)
where:
Base-Base interactions energy: -246.450
where: short stacking energy: -93.894
Base-Backbone interact. energy: -0.187
local terms energy: -102.053875
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -336.585828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.585828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.585828 (E_RNA)
where:
Base-Base interactions energy: -240.257
where: short stacking energy: -85.003
Base-Backbone interact. energy: -0.136
local terms energy: -96.193088
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -21.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -323.939261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.939261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.939261 (E_RNA)
where:
Base-Base interactions energy: -223.077
where: short stacking energy: -86.228
Base-Backbone interact. energy: -0.187
local terms energy: -100.675106
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -336.074350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.074350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.074350 (E_RNA)
where:
Base-Base interactions energy: -248.850
where: short stacking energy: -90.808
Base-Backbone interact. energy: -0.055
local terms energy: -87.169500
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -29.167
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: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -325.115905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.115905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.115905 (E_RNA)
where:
Base-Base interactions energy: -233.522
where: short stacking energy: -93.565
Base-Backbone interact. energy: 1.211
local terms energy: -92.804975
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -24.678
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: 8, replica: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -311.838259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.838259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.838259 (E_RNA)
where:
Base-Base interactions energy: -211.439
where: short stacking energy: -85.624
Base-Backbone interact. energy: -0.155
local terms energy: -100.244354
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -24.101
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: 475
Temperature: 1.300000
Total energy: -142.975437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.975437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.975437 (E_RNA)
where:
Base-Base interactions energy: -73.915
where: short stacking energy: -42.664
Base-Backbone interact. energy: -0.456
local terms energy: -68.604235
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -101.702033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.702033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.702033 (E_RNA)
where:
Base-Base interactions energy: -38.100
where: short stacking energy: -29.470
Base-Backbone interact. energy: -0.360
local terms energy: -63.242549
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -16.664
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: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -352.556202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.556202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.556202 (E_RNA)
where:
Base-Base interactions energy: -253.473
where: short stacking energy: -90.952
Base-Backbone interact. energy: -1.760
local terms energy: -97.323674
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -348.965725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.965725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.965725 (E_RNA)
where:
Base-Base interactions energy: -240.795
where: short stacking energy: -100.200
Base-Backbone interact. energy: -0.092
local terms energy: -108.079155
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -31.013
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: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -337.294459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.294459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.294459 (E_RNA)
where:
Base-Base interactions energy: -233.764
where: short stacking energy: -102.420
Base-Backbone interact. energy: -2.848
local terms energy: -100.682635
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -24.353
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: 476
Temperature: 1.050000
Total energy: -342.573568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.573568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.573568 (E_RNA)
where:
Base-Base interactions energy: -243.112
where: short stacking energy: -91.339
Base-Backbone interact. energy: -0.154
local terms energy: -99.306974
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -21.796
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: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -324.835011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.835011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.835011 (E_RNA)
where:
Base-Base interactions energy: -236.373
where: short stacking energy: -88.307
Base-Backbone interact. energy: -0.087
local terms energy: -88.375201
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -23.830
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: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -321.469645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.469645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.469645 (E_RNA)
where:
Base-Base interactions energy: -227.462
where: short stacking energy: -96.469
Base-Backbone interact. energy: -0.006
local terms energy: -94.001800
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -23.386
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: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -318.796720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.796720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.796720 (E_RNA)
where:
Base-Base interactions energy: -238.844
where: short stacking energy: -91.541
Base-Backbone interact. energy: -0.392
local terms energy: -79.560357
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -10.980
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: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -302.920616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.920616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.920616 (E_RNA)
where:
Base-Base interactions energy: -215.886
where: short stacking energy: -81.622
Base-Backbone interact. energy: 1.920
local terms energy: -88.954646
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -19.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -109.417317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.417317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.417317 (E_RNA)
where:
Base-Base interactions energy: -41.213
where: short stacking energy: -26.500
Base-Backbone interact. energy: -0.282
local terms energy: -67.922238
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -118.439898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.439898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.439898 (E_RNA)
where:
Base-Base interactions energy: -50.613
where: short stacking energy: -44.606
Base-Backbone interact. energy: 1.015
local terms energy: -68.841900
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -19.018
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -357.658558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.658558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.658558 (E_RNA)
where:
Base-Base interactions energy: -256.281
where: short stacking energy: -92.994
Base-Backbone interact. energy: -1.385
local terms energy: -99.993216
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -346.650518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.650518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.650518 (E_RNA)
where:
Base-Base interactions energy: -248.580
where: short stacking energy: -101.158
Base-Backbone interact. energy: -0.151
local terms energy: -97.919197
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -23.190
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: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -337.667868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.667868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.667868 (E_RNA)
where:
Base-Base interactions energy: -233.785
where: short stacking energy: -104.225
Base-Backbone interact. energy: -0.004
local terms energy: -103.879152
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -25.999
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: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -333.497775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.497775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.497775 (E_RNA)
where:
Base-Base interactions energy: -248.258
where: short stacking energy: -92.768
Base-Backbone interact. energy: -0.284
local terms energy: -84.955697
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -9.454
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -23.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -336.379573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.379573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.379573 (E_RNA)
where:
Base-Base interactions energy: -230.777
where: short stacking energy: -92.958
Base-Backbone interact. energy: -0.192
local terms energy: -105.409922
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -27.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -331.989563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.989563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.989563 (E_RNA)
where:
Base-Base interactions energy: -233.331
where: short stacking energy: -84.961
Base-Backbone interact. energy: -0.058
local terms energy: -98.600638
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -25.640
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: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -311.610320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.610320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.610320 (E_RNA)
where:
Base-Base interactions energy: -231.294
where: short stacking energy: -85.213
Base-Backbone interact. energy: 0.078
local terms energy: -80.394399
where:
bonds (distance) C4'-P energy: -7.824
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -305.950730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.950730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.950730 (E_RNA)
where:
Base-Base interactions energy: -221.412
where: short stacking energy: -91.373
Base-Backbone interact. energy: -0.046
local terms energy: -84.493400
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -22.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -104.832086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.832086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.832086 (E_RNA)
where:
Base-Base interactions energy: -51.844
where: short stacking energy: -39.681
Base-Backbone interact. energy: 0.834
local terms energy: -53.821527
where:
bonds (distance) C4'-P energy: -6.209
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -10.313
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: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -110.251918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.251918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.251918 (E_RNA)
where:
Base-Base interactions energy: -44.502
where: short stacking energy: -40.173
Base-Backbone interact. energy: -0.349
local terms energy: -65.401371
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -354.733686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.733686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.733686 (E_RNA)
where:
Base-Base interactions energy: -250.306
where: short stacking energy: -100.232
Base-Backbone interact. energy: -0.191
local terms energy: -104.236692
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -23.281
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: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -345.891469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.891469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.891469 (E_RNA)
where:
Base-Base interactions energy: -245.075
where: short stacking energy: -85.895
Base-Backbone interact. energy: -0.362
local terms energy: -100.454321
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -18.621
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: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -338.820149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.820149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.820149 (E_RNA)
where:
Base-Base interactions energy: -233.152
where: short stacking energy: -99.541
Base-Backbone interact. energy: -0.008
local terms energy: -105.660200
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -28.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -344.327976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.327976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.327976 (E_RNA)
where:
Base-Base interactions energy: -241.711
where: short stacking energy: -97.056
Base-Backbone interact. energy: -0.282
local terms energy: -102.334931
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -21.970
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: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -324.820056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.820056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.820056 (E_RNA)
where:
Base-Base interactions energy: -233.108
where: short stacking energy: -89.646
Base-Backbone interact. energy: -0.249
local terms energy: -91.463333
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -325.452428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.452428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.452428 (E_RNA)
where:
Base-Base interactions energy: -226.063
where: short stacking energy: -84.090
Base-Backbone interact. energy: -0.082
local terms energy: -99.307084
where:
bonds (distance) C4'-P energy: -20.540
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -19.699
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: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -315.117634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.117634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.117634 (E_RNA)
where:
Base-Base interactions energy: -218.090
where: short stacking energy: -94.146
Base-Backbone interact. energy: -0.089
local terms energy: -96.939136
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -25.967
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: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -315.562763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.562763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.562763 (E_RNA)
where:
Base-Base interactions energy: -233.344
where: short stacking energy: -83.435
Base-Backbone interact. energy: -0.570
local terms energy: -81.648869
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -20.294
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: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -117.503769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.503769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.503769 (E_RNA)
where:
Base-Base interactions energy: -49.931
where: short stacking energy: -49.931
Base-Backbone interact. energy: -0.334
local terms energy: -67.238287
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -116.483053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.483053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.483053 (E_RNA)
where:
Base-Base interactions energy: -38.026
where: short stacking energy: -38.026
Base-Backbone interact. energy: -0.179
local terms energy: -78.277822
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -351.221227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.221227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.221227 (E_RNA)
where:
Base-Base interactions energy: -251.200
where: short stacking energy: -104.691
Base-Backbone interact. energy: 1.194
local terms energy: -101.214559
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -26.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -352.040050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.040050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.040050 (E_RNA)
where:
Base-Base interactions energy: -254.878
where: short stacking energy: -95.170
Base-Backbone interact. energy: -0.395
local terms energy: -96.767784
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -20.842
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: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -337.700616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.700616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.700616 (E_RNA)
where:
Base-Base interactions energy: -232.740
where: short stacking energy: -97.918
Base-Backbone interact. energy: -0.048
local terms energy: -104.912480
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -26.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -339.329626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.329626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.329626 (E_RNA)
where:
Base-Base interactions energy: -242.590
where: short stacking energy: -91.209
Base-Backbone interact. energy: -0.173
local terms energy: -96.567007
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -16.266
tors. eta vs tors. theta energy: -22.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -337.140926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.140926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.140926 (E_RNA)
where:
Base-Base interactions energy: -240.568
where: short stacking energy: -87.180
Base-Backbone interact. energy: -0.340
local terms energy: -96.233029
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -21.008
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -21.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -320.041035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.041035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.041035 (E_RNA)
where:
Base-Base interactions energy: -229.543
where: short stacking energy: -87.883
Base-Backbone interact. energy: -0.104
local terms energy: -90.394595
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -22.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -329.716575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.716575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.716575 (E_RNA)
where:
Base-Base interactions energy: -230.901
where: short stacking energy: -85.122
Base-Backbone interact. energy: -0.250
local terms energy: -98.564881
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -22.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -315.913520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.913520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.913520 (E_RNA)
where:
Base-Base interactions energy: -217.598
where: short stacking energy: -96.590
Base-Backbone interact. energy: -0.345
local terms energy: -97.970964
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -15.189
tors. eta vs tors. theta energy: -29.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -114.809726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.809726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.809726 (E_RNA)
where:
Base-Base interactions energy: -47.414
where: short stacking energy: -47.284
Base-Backbone interact. energy: -0.174
local terms energy: -67.221775
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -6.556
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: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -101.132572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.132572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.132572 (E_RNA)
where:
Base-Base interactions energy: -39.721
where: short stacking energy: -35.817
Base-Backbone interact. energy: 0.813
local terms energy: -62.225194
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -6.912
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: 480
Temperature: 0.900000
Total energy: -351.967889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.967889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.967889 (E_RNA)
where:
Base-Base interactions energy: -246.073
where: short stacking energy: -102.757
Base-Backbone interact. energy: -0.009
local terms energy: -105.885777
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -26.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -348.452260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.452260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.452260 (E_RNA)
where:
Base-Base interactions energy: -254.901
where: short stacking energy: -92.225
Base-Backbone interact. energy: -0.410
local terms energy: -93.140527
where:
bonds (distance) C4'-P energy: -21.727
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -20.342
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -332.431140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.431140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.431140 (E_RNA)
where:
Base-Base interactions energy: -236.393
where: short stacking energy: -94.457
Base-Backbone interact. energy: -0.101
local terms energy: -95.936815
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -25.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -327.464975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.464975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.464975 (E_RNA)
where:
Base-Base interactions energy: -230.537
where: short stacking energy: -95.840
Base-Backbone interact. energy: -0.554
local terms energy: -96.373970
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -24.695
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -25.179
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: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -327.921841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.921841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.921841 (E_RNA)
where:
Base-Base interactions energy: -229.090
where: short stacking energy: -96.871
Base-Backbone interact. energy: -0.629
local terms energy: -98.202788
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -27.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -315.596821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.596821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.596821 (E_RNA)
where:
Base-Base interactions energy: -230.428
where: short stacking energy: -93.222
Base-Backbone interact. energy: -0.017
local terms energy: -85.151684
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -22.849
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: 7, replica: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -331.218138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.218138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.218138 (E_RNA)
where:
Base-Base interactions energy: -239.225
where: short stacking energy: -88.694
Base-Backbone interact. energy: -0.300
local terms energy: -91.693141
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -20.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -325.095166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.095166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.095166 (E_RNA)
where:
Base-Base interactions energy: -227.740
where: short stacking energy: -85.087
Base-Backbone interact. energy: -0.203
local terms energy: -97.152644
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -25.569
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: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -106.470480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.470480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.470480 (E_RNA)
where:
Base-Base interactions energy: -47.569
where: short stacking energy: -45.472
Base-Backbone interact. energy: -0.189
local terms energy: -58.712293
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -147.184711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.184711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.184711 (E_RNA)
where:
Base-Base interactions energy: -79.308
where: short stacking energy: -40.074
Base-Backbone interact. energy: -0.231
local terms energy: -67.645676
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -354.804991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.804991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.804991 (E_RNA)
where:
Base-Base interactions energy: -246.378
where: short stacking energy: -105.168
Base-Backbone interact. energy: -0.011
local terms energy: -108.416170
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -27.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -349.951450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.951450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.951450 (E_RNA)
where:
Base-Base interactions energy: -251.317
where: short stacking energy: -89.727
Base-Backbone interact. energy: -0.854
local terms energy: -97.779731
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -20.867
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: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -333.547017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.547017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.547017 (E_RNA)
where:
Base-Base interactions energy: -231.271
where: short stacking energy: -98.289
Base-Backbone interact. energy: -0.144
local terms energy: -102.132491
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -26.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -333.712440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.712440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.712440 (E_RNA)
where:
Base-Base interactions energy: -233.902
where: short stacking energy: -91.909
Base-Backbone interact. energy: -0.028
local terms energy: -99.781619
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -25.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -331.291874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.291874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.291874 (E_RNA)
where:
Base-Base interactions energy: -228.112
where: short stacking energy: -85.898
Base-Backbone interact. energy: -0.042
local terms energy: -103.137550
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -20.871
flat angles C4'-P-C4' energy: -24.128
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -25.075
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: 6, replica: 4
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -330.929182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.929182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.929182 (E_RNA)
where:
Base-Base interactions energy: -237.391
where: short stacking energy: -88.995
Base-Backbone interact. energy: -0.230
local terms energy: -93.308146
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -23.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -316.864236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.864236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.864236 (E_RNA)
where:
Base-Base interactions energy: -223.635
where: short stacking energy: -76.688
Base-Backbone interact. energy: -0.192
local terms energy: -93.037312
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -321.843062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.843062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.843062 (E_RNA)
where:
Base-Base interactions energy: -226.408
where: short stacking energy: -87.860
Base-Backbone interact. energy: -0.077
local terms energy: -95.357595
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -23.280
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -22.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -122.263531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.263531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.263531 (E_RNA)
where:
Base-Base interactions energy: -51.175
where: short stacking energy: -37.427
Base-Backbone interact. energy: -0.135
local terms energy: -70.953854
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -11.090
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: 481
Temperature: 1.350000
Total energy: -199.673465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.673465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.673465 (E_RNA)
where:
Base-Base interactions energy: -120.690
where: short stacking energy: -65.273
Base-Backbone interact. energy: -0.845
local terms energy: -78.138708
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -15.328
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: 482
Temperature: 0.900000
Total energy: -346.608688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.608688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.608688 (E_RNA)
where:
Base-Base interactions energy: -251.141
where: short stacking energy: -90.094
Base-Backbone interact. energy: -0.412
local terms energy: -95.055862
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -15.849
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: 2, replica: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -355.566214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.566214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.566214 (E_RNA)
where:
Base-Base interactions energy: -251.689
where: short stacking energy: -100.681
Base-Backbone interact. energy: -0.103
local terms energy: -103.774183
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -24.529
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -24.429
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: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -340.208168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.208168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.208168 (E_RNA)
where:
Base-Base interactions energy: -251.807
where: short stacking energy: -93.763
Base-Backbone interact. energy: -0.233
local terms energy: -88.167706
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -21.979
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -22.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -340.127656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.127656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.127656 (E_RNA)
where:
Base-Base interactions energy: -242.668
where: short stacking energy: -95.656
Base-Backbone interact. energy: -0.021
local terms energy: -97.438302
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -23.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -333.831320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.831320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.831320 (E_RNA)
where:
Base-Base interactions energy: -240.556
where: short stacking energy: -89.983
Base-Backbone interact. energy: -0.180
local terms energy: -93.095722
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -21.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -329.287028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.287028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.287028 (E_RNA)
where:
Base-Base interactions energy: -233.811
where: short stacking energy: -89.010
Base-Backbone interact. energy: 1.030
local terms energy: -96.505930
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -25.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -322.168482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.168482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.168482 (E_RNA)
where:
Base-Base interactions energy: -228.015
where: short stacking energy: -82.828
Base-Backbone interact. energy: -0.345
local terms energy: -93.808935
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -21.134
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: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -318.750900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.750900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.750900 (E_RNA)
where:
Base-Base interactions energy: -236.394
where: short stacking energy: -89.345
Base-Backbone interact. energy: 0.611
local terms energy: -82.967968
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -181.169756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.169756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.169756 (E_RNA)
where:
Base-Base interactions energy: -114.483
where: short stacking energy: -50.732
Base-Backbone interact. energy: 0.841
local terms energy: -67.528523
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -21.895
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -10.815
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: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -96.790937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.790937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.790937 (E_RNA)
where:
Base-Base interactions energy: -29.140
where: short stacking energy: -29.140
Base-Backbone interact. energy: -0.666
local terms energy: -66.984870
where:
bonds (distance) C4'-P energy: -22.430
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -348.323412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.323412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.323412 (E_RNA)
where:
Base-Base interactions energy: -251.711
where: short stacking energy: -87.963
Base-Backbone interact. energy: -2.562
local terms energy: -94.051019
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -340.547943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.547943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.547943 (E_RNA)
where:
Base-Base interactions energy: -244.127
where: short stacking energy: -92.479
Base-Backbone interact. energy: 0.145
local terms energy: -96.566365
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -25.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -349.086311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.086311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.086311 (E_RNA)
where:
Base-Base interactions energy: -253.369
where: short stacking energy: -96.990
Base-Backbone interact. energy: -0.293
local terms energy: -95.424245
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -20.938
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -23.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -350.301904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.301904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.301904 (E_RNA)
where:
Base-Base interactions energy: -248.884
where: short stacking energy: -101.119
Base-Backbone interact. energy: -1.030
local terms energy: -100.387973
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -24.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -335.075573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.075573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.075573 (E_RNA)
where:
Base-Base interactions energy: -243.424
where: short stacking energy: -91.707
Base-Backbone interact. energy: -0.137
local terms energy: -91.514663
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -20.062
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: 2
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -321.404281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.404281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.404281 (E_RNA)
where:
Base-Base interactions energy: -220.579
where: short stacking energy: -100.885
Base-Backbone interact. energy: -0.457
local terms energy: -100.368042
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -17.849
tors. eta vs tors. theta energy: -26.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -316.312083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.312083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.312083 (E_RNA)
where:
Base-Base interactions energy: -223.713
where: short stacking energy: -101.644
Base-Backbone interact. energy: -0.005
local terms energy: -92.593283
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -25.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -323.362102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.362102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.362102 (E_RNA)
where:
Base-Base interactions energy: -235.547
where: short stacking energy: -89.212
Base-Backbone interact. energy: -0.150
local terms energy: -87.665938
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -24.550
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: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -192.024131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.024131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.024131 (E_RNA)
where:
Base-Base interactions energy: -115.903
where: short stacking energy: -68.484
Base-Backbone interact. energy: -0.124
local terms energy: -75.997373
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -104.364249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.364249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.364249 (E_RNA)
where:
Base-Base interactions energy: -33.806
where: short stacking energy: -34.979
Base-Backbone interact. energy: -0.395
local terms energy: -70.163754
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -359.415276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.415276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.415276 (E_RNA)
where:
Base-Base interactions energy: -257.657
where: short stacking energy: -92.284
Base-Backbone interact. energy: 0.602
local terms energy: -102.360374
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -18.478
tors. eta vs tors. theta energy: -19.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -349.149511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.149511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.149511 (E_RNA)
where:
Base-Base interactions energy: -247.105
where: short stacking energy: -86.739
Base-Backbone interact. energy: -1.211
local terms energy: -100.834172
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -346.712327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.712327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.712327 (E_RNA)
where:
Base-Base interactions energy: -239.742
where: short stacking energy: -103.808
Base-Backbone interact. energy: -0.011
local terms energy: -106.959016
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -27.855
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: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -337.718244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.718244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.718244 (E_RNA)
where:
Base-Base interactions energy: -232.290
where: short stacking energy: -95.181
Base-Backbone interact. energy: -0.040
local terms energy: -105.387812
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -29.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -334.050794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.050794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.050794 (E_RNA)
where:
Base-Base interactions energy: -226.878
where: short stacking energy: -93.153
Base-Backbone interact. energy: 0.046
local terms energy: -107.218218
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -26.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -333.962198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.962198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.962198 (E_RNA)
where:
Base-Base interactions energy: -237.110
where: short stacking energy: -91.929
Base-Backbone interact. energy: -0.235
local terms energy: -96.617401
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -325.118523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.118523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.118523 (E_RNA)
where:
Base-Base interactions energy: -224.095
where: short stacking energy: -87.047
Base-Backbone interact. energy: -0.081
local terms energy: -100.942421
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -28.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -296.514976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.514976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.514976 (E_RNA)
where:
Base-Base interactions energy: -206.295
where: short stacking energy: -95.514
Base-Backbone interact. energy: -0.057
local terms energy: -90.162202
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -25.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -177.677142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.677142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.677142 (E_RNA)
where:
Base-Base interactions energy: -104.948
where: short stacking energy: -45.435
Base-Backbone interact. energy: -0.301
local terms energy: -72.427590
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -6.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -109.037875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.037875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.037875 (E_RNA)
where:
Base-Base interactions energy: -41.925
where: short stacking energy: -41.150
Base-Backbone interact. energy: -0.147
local terms energy: -66.965839
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -346.771111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.771111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.771111 (E_RNA)
where:
Base-Base interactions energy: -247.258
where: short stacking energy: -87.008
Base-Backbone interact. energy: -0.975
local terms energy: -98.538651
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -17.380
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: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -340.019799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.019799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.019799 (E_RNA)
where:
Base-Base interactions energy: -243.391
where: short stacking energy: -98.436
Base-Backbone interact. energy: -0.334
local terms energy: -96.294280
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -21.894
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -23.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -324.990463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.990463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.990463 (E_RNA)
where:
Base-Base interactions energy: -233.004
where: short stacking energy: -89.058
Base-Backbone interact. energy: -0.101
local terms energy: -91.885272
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -343.536744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.536744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.536744 (E_RNA)
where:
Base-Base interactions energy: -237.518
where: short stacking energy: -108.030
Base-Backbone interact. energy: -2.775
local terms energy: -103.243326
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -26.238
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: 485
Temperature: 1.100000
Total energy: -324.427079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.427079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.427079 (E_RNA)
where:
Base-Base interactions energy: -229.154
where: short stacking energy: -91.431
Base-Backbone interact. energy: -0.348
local terms energy: -94.924720
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -19.342
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: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -330.742331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.742331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.742331 (E_RNA)
where:
Base-Base interactions energy: -233.891
where: short stacking energy: -94.272
Base-Backbone interact. energy: -0.006
local terms energy: -96.845687
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -24.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -327.081316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.081316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.081316 (E_RNA)
where:
Base-Base interactions energy: -240.594
where: short stacking energy: -91.661
Base-Backbone interact. energy: -0.877
local terms energy: -85.609898
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -18.191
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -23.262
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: 3
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -324.560418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.560418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.560418 (E_RNA)
where:
Base-Base interactions energy: -229.713
where: short stacking energy: -93.113
Base-Backbone interact. energy: -0.407
local terms energy: -94.441108
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -24.070
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -23.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -174.596896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.596896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.596896 (E_RNA)
where:
Base-Base interactions energy: -104.623
where: short stacking energy: -41.100
Base-Backbone interact. energy: -0.312
local terms energy: -69.661508
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -98.177834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.177834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.177834 (E_RNA)
where:
Base-Base interactions energy: -27.479
where: short stacking energy: -27.479
Base-Backbone interact. energy: 0.186
local terms energy: -70.884879
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -347.934621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.934621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.934621 (E_RNA)
where:
Base-Base interactions energy: -242.489
where: short stacking energy: -99.616
Base-Backbone interact. energy: -2.029
local terms energy: -103.416507
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -24.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -355.268620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.268620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.268620 (E_RNA)
where:
Base-Base interactions energy: -257.259
where: short stacking energy: -91.015
Base-Backbone interact. energy: -0.746
local terms energy: -97.264041
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -16.867
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: 2
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -326.907811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.907811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.907811 (E_RNA)
where:
Base-Base interactions energy: -227.158
where: short stacking energy: -85.177
Base-Backbone interact. energy: 0.350
local terms energy: -100.100067
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -22.490
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: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -344.058698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.058698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.058698 (E_RNA)
where:
Base-Base interactions energy: -243.837
where: short stacking energy: -90.222
Base-Backbone interact. energy: -0.181
local terms energy: -100.041030
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -24.637
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -327.401456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.401456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.401456 (E_RNA)
where:
Base-Base interactions energy: -228.846
where: short stacking energy: -102.911
Base-Backbone interact. energy: -0.151
local terms energy: -98.404465
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -26.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -314.217577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.217577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.217577 (E_RNA)
where:
Base-Base interactions energy: -224.914
where: short stacking energy: -85.795
Base-Backbone interact. energy: -1.122
local terms energy: -88.182252
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -302.391436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.391436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.391436 (E_RNA)
where:
Base-Base interactions energy: -215.798
where: short stacking energy: -89.152
Base-Backbone interact. energy: -0.336
local terms energy: -86.256900
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -22.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -311.493736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.493736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.493736 (E_RNA)
where:
Base-Base interactions energy: -224.627
where: short stacking energy: -82.413
Base-Backbone interact. energy: 0.288
local terms energy: -87.154450
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -23.449
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: 486
Temperature: 1.300000
Total energy: -191.549316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.549316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.549316 (E_RNA)
where:
Base-Base interactions energy: -117.168
where: short stacking energy: -61.053
Base-Backbone interact. energy: -0.048
local terms energy: -74.333270
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -96.591320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.591320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.591320 (E_RNA)
where:
Base-Base interactions energy: -34.714
where: short stacking energy: -27.306
Base-Backbone interact. energy: -0.552
local terms energy: -61.325908
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -5.259
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: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -349.255851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.255851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.255851 (E_RNA)
where:
Base-Base interactions energy: -249.483
where: short stacking energy: -97.305
Base-Backbone interact. energy: 0.074
local terms energy: -99.847047
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -346.406187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.406187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.406187 (E_RNA)
where:
Base-Base interactions energy: -253.426
where: short stacking energy: -93.084
Base-Backbone interact. energy: -0.123
local terms energy: -92.856956
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -343.755717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.755717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.755717 (E_RNA)
where:
Base-Base interactions energy: -248.996
where: short stacking energy: -92.601
Base-Backbone interact. energy: -0.422
local terms energy: -94.338389
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -332.544963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.544963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.544963 (E_RNA)
where:
Base-Base interactions energy: -236.907
where: short stacking energy: -93.243
Base-Backbone interact. energy: -0.207
local terms energy: -95.431355
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -332.490485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.490485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.490485 (E_RNA)
where:
Base-Base interactions energy: -239.415
where: short stacking energy: -93.316
Base-Backbone interact. energy: -0.638
local terms energy: -92.437156
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -24.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -318.865285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.865285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.865285 (E_RNA)
where:
Base-Base interactions energy: -226.064
where: short stacking energy: -95.265
Base-Backbone interact. energy: -0.075
local terms energy: -92.726913
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -25.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -315.249944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.249944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.249944 (E_RNA)
where:
Base-Base interactions energy: -236.160
where: short stacking energy: -79.491
Base-Backbone interact. energy: 0.824
local terms energy: -79.913696
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -13.056
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: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -314.292469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.292469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.292469 (E_RNA)
where:
Base-Base interactions energy: -230.153
where: short stacking energy: -83.554
Base-Backbone interact. energy: -0.452
local terms energy: -83.687386
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -23.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -198.276012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.276012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.276012 (E_RNA)
where:
Base-Base interactions energy: -112.259
where: short stacking energy: -56.415
Base-Backbone interact. energy: -0.289
local terms energy: -85.728724
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -11.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -94.311914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.311914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.311914 (E_RNA)
where:
Base-Base interactions energy: -42.460
where: short stacking energy: -42.403
Base-Backbone interact. energy: 3.165
local terms energy: -55.017034
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -1.249
tors. eta vs tors. theta energy: 1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -350.993661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.993661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.993661 (E_RNA)
where:
Base-Base interactions energy: -256.744
where: short stacking energy: -90.336
Base-Backbone interact. energy: -1.588
local terms energy: -92.661182
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -349.220595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.220595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.220595 (E_RNA)
where:
Base-Base interactions energy: -249.891
where: short stacking energy: -101.359
Base-Backbone interact. energy: -0.350
local terms energy: -98.979563
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -21.135
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -348.522645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.522645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.522645 (E_RNA)
where:
Base-Base interactions energy: -247.396
where: short stacking energy: -104.364
Base-Backbone interact. energy: 0.492
local terms energy: -101.618841
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -27.900
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: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -331.605237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.605237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.605237 (E_RNA)
where:
Base-Base interactions energy: -230.906
where: short stacking energy: -100.025
Base-Backbone interact. energy: -0.402
local terms energy: -100.296824
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -22.572
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -26.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -331.228795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.228795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.228795 (E_RNA)
where:
Base-Base interactions energy: -231.932
where: short stacking energy: -88.917
Base-Backbone interact. energy: -0.056
local terms energy: -99.240210
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -25.166
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -22.532
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: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -316.774995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.774995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.774995 (E_RNA)
where:
Base-Base interactions energy: -217.386
where: short stacking energy: -91.817
Base-Backbone interact. energy: -0.003
local terms energy: -99.385785
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -27.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -316.127743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.127743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.127743 (E_RNA)
where:
Base-Base interactions energy: -222.178
where: short stacking energy: -86.463
Base-Backbone interact. energy: -0.551
local terms energy: -93.398607
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -22.556
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -21.809
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: 8, replica: 4
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -310.229408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.229408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.229408 (E_RNA)
where:
Base-Base interactions energy: -214.706
where: short stacking energy: -89.174
Base-Backbone interact. energy: -0.260
local terms energy: -95.264096
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -23.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -201.625704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.625704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.625704 (E_RNA)
where:
Base-Base interactions energy: -122.069
where: short stacking energy: -56.379
Base-Backbone interact. energy: -0.552
local terms energy: -79.005103
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -7.666
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: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -98.380362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.380362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.380362 (E_RNA)
where:
Base-Base interactions energy: -35.511
where: short stacking energy: -32.738
Base-Backbone interact. energy: 0.990
local terms energy: -63.859747
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: 0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -354.242588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.242588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.242588 (E_RNA)
where:
Base-Base interactions energy: -252.357
where: short stacking energy: -88.931
Base-Backbone interact. energy: -0.634
local terms energy: -101.251186
where:
bonds (distance) C4'-P energy: -21.706
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -16.324
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -350.779614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.779614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.779614 (E_RNA)
where:
Base-Base interactions energy: -246.145
where: short stacking energy: -98.041
Base-Backbone interact. energy: -0.006
local terms energy: -104.628105
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -342.110533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.110533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.110533 (E_RNA)
where:
Base-Base interactions energy: -241.578
where: short stacking energy: -86.430
Base-Backbone interact. energy: 0.642
local terms energy: -101.174316
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -25.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -341.239392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.239392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.239392 (E_RNA)
where:
Base-Base interactions energy: -232.583
where: short stacking energy: -107.440
Base-Backbone interact. energy: -0.443
local terms energy: -108.213807
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -30.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -332.964944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.964944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.964944 (E_RNA)
where:
Base-Base interactions energy: -242.720
where: short stacking energy: -82.054
Base-Backbone interact. energy: 0.818
local terms energy: -91.062776
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -14.003
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: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -319.289838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.289838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.289838 (E_RNA)
where:
Base-Base interactions energy: -242.500
where: short stacking energy: -93.786
Base-Backbone interact. energy: -0.247
local terms energy: -76.543732
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -321.086382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.086382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.086382 (E_RNA)
where:
Base-Base interactions energy: -232.771
where: short stacking energy: -85.431
Base-Backbone interact. energy: -0.264
local terms energy: -88.051353
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -24.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -310.273255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.273255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.273255 (E_RNA)
where:
Base-Base interactions energy: -216.988
where: short stacking energy: -82.382
Base-Backbone interact. energy: -0.203
local terms energy: -93.082114
where:
bonds (distance) C4'-P energy: -21.090
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -200.231662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.231662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.231662 (E_RNA)
where:
Base-Base interactions energy: -128.389
where: short stacking energy: -68.284
Base-Backbone interact. energy: -0.020
local terms energy: -71.822991
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -99.306179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.306179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.306179 (E_RNA)
where:
Base-Base interactions energy: -35.340
where: short stacking energy: -29.241
Base-Backbone interact. energy: -0.139
local terms energy: -63.826481
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -349.650081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.650081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.650081 (E_RNA)
where:
Base-Base interactions energy: -242.488
where: short stacking energy: -100.875
Base-Backbone interact. energy: -0.017
local terms energy: -107.144536
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -24.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -352.333156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.333156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.333156 (E_RNA)
where:
Base-Base interactions energy: -254.247
where: short stacking energy: -95.097
Base-Backbone interact. energy: 0.631
local terms energy: -98.717536
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -354.130056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.130056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.130056 (E_RNA)
where:
Base-Base interactions energy: -248.703
where: short stacking energy: -94.293
Base-Backbone interact. energy: -0.128
local terms energy: -105.299395
where:
bonds (distance) C4'-P energy: -19.918
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -23.225
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -24.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -332.960442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.960442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.960442 (E_RNA)
where:
Base-Base interactions energy: -239.067
where: short stacking energy: -87.328
Base-Backbone interact. energy: -0.024
local terms energy: -93.869709
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -14.613
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: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -330.680546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.680546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.680546 (E_RNA)
where:
Base-Base interactions energy: -233.799
where: short stacking energy: -81.246
Base-Backbone interact. energy: -0.322
local terms energy: -96.559487
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -18.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -332.426088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.426088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.426088 (E_RNA)
where:
Base-Base interactions energy: -248.747
where: short stacking energy: -90.599
Base-Backbone interact. energy: -0.315
local terms energy: -83.364318
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -21.764
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: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -332.172594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.172594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.172594 (E_RNA)
where:
Base-Base interactions energy: -240.422
where: short stacking energy: -94.421
Base-Backbone interact. energy: -0.077
local terms energy: -91.673176
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -27.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -313.122437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.122437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.122437 (E_RNA)
where:
Base-Base interactions energy: -231.463
where: short stacking energy: -84.344
Base-Backbone interact. energy: -0.700
local terms energy: -80.959152
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -16.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -203.288493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.288493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.288493 (E_RNA)
where:
Base-Base interactions energy: -126.788
where: short stacking energy: -66.869
Base-Backbone interact. energy: -0.551
local terms energy: -75.950129
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -13.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -114.696394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.696394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.696394 (E_RNA)
where:
Base-Base interactions energy: -52.452
where: short stacking energy: -27.928
Base-Backbone interact. energy: -1.442
local terms energy: -60.802277
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -340.614329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.614329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.614329 (E_RNA)
where:
Base-Base interactions energy: -239.590
where: short stacking energy: -94.844
Base-Backbone interact. energy: -0.007
local terms energy: -101.017385
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -21.661
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -26.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -350.320559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.320559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.320559 (E_RNA)
where:
Base-Base interactions energy: -252.316
where: short stacking energy: -94.089
Base-Backbone interact. energy: -0.128
local terms energy: -97.877466
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -23.522
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: 491
Temperature: 1.000000
Total energy: -349.115199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.115199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.115199 (E_RNA)
where:
Base-Base interactions energy: -254.725
where: short stacking energy: -90.558
Base-Backbone interact. energy: 0.052
local terms energy: -94.442161
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -14.771
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: 4, replica: 5
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -340.341721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.341721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.341721 (E_RNA)
where:
Base-Base interactions energy: -232.880
where: short stacking energy: -97.032
Base-Backbone interact. energy: -0.028
local terms energy: -107.433217
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -17.197
tors. eta vs tors. theta energy: -28.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -338.753426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.753426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.753426 (E_RNA)
where:
Base-Base interactions energy: -244.785
where: short stacking energy: -89.791
Base-Backbone interact. energy: -0.129
local terms energy: -93.839371
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -24.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -328.798884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.798884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.798884 (E_RNA)
where:
Base-Base interactions energy: -235.155
where: short stacking energy: -92.954
Base-Backbone interact. energy: -0.071
local terms energy: -93.572786
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -23.688
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: 491
Temperature: 1.200000
Total energy: -326.330948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.330948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.330948 (E_RNA)
where:
Base-Base interactions energy: -238.276
where: short stacking energy: -83.803
Base-Backbone interact. energy: -0.610
local terms energy: -87.444696
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -11.630
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: 8, replica: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -314.920993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.920993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.920993 (E_RNA)
where:
Base-Base interactions energy: -224.269
where: short stacking energy: -82.785
Base-Backbone interact. energy: -0.544
local terms energy: -90.107635
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -18.223
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -198.008816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.008816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.008816 (E_RNA)
where:
Base-Base interactions energy: -118.098
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.223
local terms energy: -79.687889
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -13.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -152.411597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.411597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.411597 (E_RNA)
where:
Base-Base interactions energy: -83.076
where: short stacking energy: -58.528
Base-Backbone interact. energy: -0.227
local terms energy: -69.107935
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -349.812992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.812992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.812992 (E_RNA)
where:
Base-Base interactions energy: -258.883
where: short stacking energy: -96.964
Base-Backbone interact. energy: -0.628
local terms energy: -90.302509
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -22.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -344.819963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.819963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.819963 (E_RNA)
where:
Base-Base interactions energy: -249.185
where: short stacking energy: -105.578
Base-Backbone interact. energy: -0.006
local terms energy: -95.628819
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -25.633
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: 6
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -338.462644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.462644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.462644 (E_RNA)
where:
Base-Base interactions energy: -248.559
where: short stacking energy: -92.350
Base-Backbone interact. energy: -1.727
local terms energy: -88.176917
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -341.781304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.781304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.781304 (E_RNA)
where:
Base-Base interactions energy: -243.861
where: short stacking energy: -87.319
Base-Backbone interact. energy: -0.099
local terms energy: -97.820491
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -23.526
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: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -333.133665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.133665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.133665 (E_RNA)
where:
Base-Base interactions energy: -238.834
where: short stacking energy: -89.237
Base-Backbone interact. energy: -0.130
local terms energy: -94.170137
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -23.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -328.242085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.242085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.242085 (E_RNA)
where:
Base-Base interactions energy: -236.446
where: short stacking energy: -102.364
Base-Backbone interact. energy: -0.222
local terms energy: -91.574368
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -25.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -323.125471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.125471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.125471 (E_RNA)
where:
Base-Base interactions energy: -231.713
where: short stacking energy: -93.005
Base-Backbone interact. energy: 0.513
local terms energy: -91.925582
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -14.408
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: 8, replica: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -303.674830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.674830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.674830 (E_RNA)
where:
Base-Base interactions energy: -216.433
where: short stacking energy: -82.923
Base-Backbone interact. energy: -0.494
local terms energy: -86.747449
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -194.196103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.196103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.196103 (E_RNA)
where:
Base-Base interactions energy: -123.385
where: short stacking energy: -56.787
Base-Backbone interact. energy: -1.526
local terms energy: -69.285672
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -103.072782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.072782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.072782 (E_RNA)
where:
Base-Base interactions energy: -37.127
where: short stacking energy: -31.148
Base-Backbone interact. energy: -0.198
local terms energy: -65.747784
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -346.462498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.462498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.462498 (E_RNA)
where:
Base-Base interactions energy: -237.831
where: short stacking energy: -95.031
Base-Backbone interact. energy: -0.599
local terms energy: -108.031785
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -24.075
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -22.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -342.313595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.313595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.313595 (E_RNA)
where:
Base-Base interactions energy: -245.180
where: short stacking energy: -88.461
Base-Backbone interact. energy: -0.797
local terms energy: -96.337027
where:
bonds (distance) C4'-P energy: -21.486
bonds (distance) P-C4' energy: -24.015
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -13.746
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: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -349.012430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.012430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.012430 (E_RNA)
where:
Base-Base interactions energy: -245.291
where: short stacking energy: -101.570
Base-Backbone interact. energy: -0.336
local terms energy: -103.385845
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -24.159
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -23.442
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: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -340.048990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.048990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.048990 (E_RNA)
where:
Base-Base interactions energy: -240.054
where: short stacking energy: -90.044
Base-Backbone interact. energy: -0.084
local terms energy: -99.910630
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -17.608
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: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -330.426305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.426305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.426305 (E_RNA)
where:
Base-Base interactions energy: -238.149
where: short stacking energy: -83.457
Base-Backbone interact. energy: -0.868
local terms energy: -91.409445
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -22.810
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: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -329.211217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.211217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.211217 (E_RNA)
where:
Base-Base interactions energy: -253.502
where: short stacking energy: -89.947
Base-Backbone interact. energy: 2.681
local terms energy: -78.390953
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -21.058
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: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -318.017561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.017561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.017561 (E_RNA)
where:
Base-Base interactions energy: -226.931
where: short stacking energy: -87.776
Base-Backbone interact. energy: 1.600
local terms energy: -92.686215
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -13.898
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: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -304.054503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.054503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.054503 (E_RNA)
where:
Base-Base interactions energy: -216.677
where: short stacking energy: -88.733
Base-Backbone interact. energy: -0.103
local terms energy: -87.273865
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -22.269
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: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -198.238089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.238089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.238089 (E_RNA)
where:
Base-Base interactions energy: -117.135
where: short stacking energy: -60.422
Base-Backbone interact. energy: -0.226
local terms energy: -80.876820
where:
bonds (distance) C4'-P energy: -21.091
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -8.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -110.669375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.669375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.669375 (E_RNA)
where:
Base-Base interactions energy: -47.835
where: short stacking energy: -44.838
Base-Backbone interact. energy: 0.475
local terms energy: -63.309738
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -9.394
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: 1, replica: 6
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -352.761492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.761492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.761492 (E_RNA)
where:
Base-Base interactions energy: -257.422
where: short stacking energy: -97.538
Base-Backbone interact. energy: -1.110
local terms energy: -94.229400
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -346.725276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.725276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.725276 (E_RNA)
where:
Base-Base interactions energy: -242.903
where: short stacking energy: -96.233
Base-Backbone interact. energy: -0.303
local terms energy: -103.519358
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -24.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -339.321846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.321846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.321846 (E_RNA)
where:
Base-Base interactions energy: -240.774
where: short stacking energy: -93.751
Base-Backbone interact. energy: -0.198
local terms energy: -98.350075
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -24.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -333.599711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.599711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.599711 (E_RNA)
where:
Base-Base interactions energy: -231.240
where: short stacking energy: -92.355
Base-Backbone interact. energy: -0.849
local terms energy: -101.511196
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -22.715
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -23.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -337.772019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.772019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.772019 (E_RNA)
where:
Base-Base interactions energy: -241.209
where: short stacking energy: -86.375
Base-Backbone interact. energy: -1.318
local terms energy: -95.244784
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -20.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -321.495606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.495606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.495606 (E_RNA)
where:
Base-Base interactions energy: -231.818
where: short stacking energy: -84.306
Base-Backbone interact. energy: -1.039
local terms energy: -88.637714
where:
bonds (distance) C4'-P energy: -8.933
bonds (distance) P-C4' energy: -20.776
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -317.106345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.106345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.106345 (E_RNA)
where:
Base-Base interactions energy: -220.573
where: short stacking energy: -77.418
Base-Backbone interact. energy: -0.294
local terms energy: -96.238964
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -23.081
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -23.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -306.298462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.298462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.298462 (E_RNA)
where:
Base-Base interactions energy: -225.241
where: short stacking energy: -78.593
Base-Backbone interact. energy: 0.900
local terms energy: -81.957316
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -206.793635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.793635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.793635 (E_RNA)
where:
Base-Base interactions energy: -129.706
where: short stacking energy: -49.449
Base-Backbone interact. energy: -1.032
local terms energy: -76.056015
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -11.264
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: 494
Temperature: 1.350000
Total energy: -113.765380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.765380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.765380 (E_RNA)
where:
Base-Base interactions energy: -54.528
where: short stacking energy: -41.005
Base-Backbone interact. energy: 0.449
local terms energy: -59.685750
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -14.390
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: 6
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -353.163053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.163053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.163053 (E_RNA)
where:
Base-Base interactions energy: -254.259
where: short stacking energy: -97.165
Base-Backbone interact. energy: 1.139
local terms energy: -100.043027
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -18.270
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: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -348.132855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.132855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.132855 (E_RNA)
where:
Base-Base interactions energy: -242.030
where: short stacking energy: -102.931
Base-Backbone interact. energy: -0.009
local terms energy: -106.093959
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -22.608
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -26.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -334.457397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.457397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.457397 (E_RNA)
where:
Base-Base interactions energy: -234.638
where: short stacking energy: -92.190
Base-Backbone interact. energy: 0.325
local terms energy: -100.144719
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -26.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -336.887357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.887357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.887357 (E_RNA)
where:
Base-Base interactions energy: -231.379
where: short stacking energy: -102.931
Base-Backbone interact. energy: -0.047
local terms energy: -105.461823
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -29.768
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: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -331.900113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.900113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.900113 (E_RNA)
where:
Base-Base interactions energy: -228.836
where: short stacking energy: -93.517
Base-Backbone interact. energy: -0.849
local terms energy: -102.214472
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -22.969
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -29.849
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: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -344.938398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.938398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.938398 (E_RNA)
where:
Base-Base interactions energy: -240.179
where: short stacking energy: -88.817
Base-Backbone interact. energy: -0.074
local terms energy: -104.685776
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -25.497
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: 3
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -320.152699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.152699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.152699 (E_RNA)
where:
Base-Base interactions energy: -234.503
where: short stacking energy: -92.142
Base-Backbone interact. energy: -0.465
local terms energy: -85.184363
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -20.286
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: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -315.907669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.907669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.907669 (E_RNA)
where:
Base-Base interactions energy: -235.878
where: short stacking energy: -96.697
Base-Backbone interact. energy: 1.630
local terms energy: -81.659608
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -20.317
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: 9
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -185.345070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.345070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.345070 (E_RNA)
where:
Base-Base interactions energy: -110.642
where: short stacking energy: -60.689
Base-Backbone interact. energy: 0.376
local terms energy: -75.078293
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -9.270
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: 8
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -110.653920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.653920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.653920 (E_RNA)
where:
Base-Base interactions energy: -49.130
where: short stacking energy: -34.463
Base-Backbone interact. energy: -0.236
local terms energy: -61.288293
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -359.073670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.073670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.073670 (E_RNA)
where:
Base-Base interactions energy: -253.649
where: short stacking energy: -100.319
Base-Backbone interact. energy: -0.234
local terms energy: -105.189858
where:
bonds (distance) C4'-P energy: -21.434
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -27.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -351.089679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.089679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.089679 (E_RNA)
where:
Base-Base interactions energy: -252.515
where: short stacking energy: -87.821
Base-Backbone interact. energy: 0.787
local terms energy: -99.361517
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -23.627
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -337.507115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.507115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.507115 (E_RNA)
where:
Base-Base interactions energy: -245.250
where: short stacking energy: -108.659
Base-Backbone interact. energy: -0.002
local terms energy: -92.254458
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -23.751
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -26.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -338.829780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.829780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.829780 (E_RNA)
where:
Base-Base interactions energy: -233.428
where: short stacking energy: -95.953
Base-Backbone interact. energy: -0.178
local terms energy: -105.223280
where:
bonds (distance) C4'-P energy: -23.168
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -20.541
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -27.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -349.621848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.621848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.621848 (E_RNA)
where:
Base-Base interactions energy: -246.806
where: short stacking energy: -91.959
Base-Backbone interact. energy: -0.149
local terms energy: -102.667087
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -23.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -323.075994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.075994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.075994 (E_RNA)
where:
Base-Base interactions energy: -238.565
where: short stacking energy: -94.455
Base-Backbone interact. energy: -0.316
local terms energy: -84.195219
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -25.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -323.756943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.756943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.756943 (E_RNA)
where:
Base-Base interactions energy: -240.273
where: short stacking energy: -87.718
Base-Backbone interact. energy: -0.164
local terms energy: -83.320330
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -315.037213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.037213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.037213 (E_RNA)
where:
Base-Base interactions energy: -225.693
where: short stacking energy: -79.766
Base-Backbone interact. energy: -0.235
local terms energy: -89.108705
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -19.325
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: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -173.947374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.947374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.947374 (E_RNA)
where:
Base-Base interactions energy: -108.082
where: short stacking energy: -50.665
Base-Backbone interact. energy: 0.558
local terms energy: -66.423787
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -97.482516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.482516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.482516 (E_RNA)
where:
Base-Base interactions energy: -48.905
where: short stacking energy: -27.936
Base-Backbone interact. energy: -0.205
local terms energy: -48.372313
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: 1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -354.998053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.998053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.998053 (E_RNA)
where:
Base-Base interactions energy: -252.656
where: short stacking energy: -106.204
Base-Backbone interact. energy: 0.811
local terms energy: -103.153855
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -20.633
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: -24.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -344.715317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.715317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.715317 (E_RNA)
where:
Base-Base interactions energy: -244.347
where: short stacking energy: -100.603
Base-Backbone interact. energy: -0.531
local terms energy: -99.837556
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -19.928
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -27.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -336.230143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.230143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.230143 (E_RNA)
where:
Base-Base interactions energy: -234.705
where: short stacking energy: -93.558
Base-Backbone interact. energy: -0.715
local terms energy: -100.810673
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -20.906
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: 497
Temperature: 1.050000
Total energy: -349.295456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.295456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.295456 (E_RNA)
where:
Base-Base interactions energy: -243.954
where: short stacking energy: -93.258
Base-Backbone interact. energy: 0.212
local terms energy: -105.553109
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -28.927
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: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -327.703786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.703786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.703786 (E_RNA)
where:
Base-Base interactions energy: -233.131
where: short stacking energy: -94.554
Base-Backbone interact. energy: -0.006
local terms energy: -94.567138
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -22.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -321.675257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.675257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.675257 (E_RNA)
where:
Base-Base interactions energy: -228.364
where: short stacking energy: -86.066
Base-Backbone interact. energy: -0.219
local terms energy: -93.092562
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -326.260244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.260244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.260244 (E_RNA)
where:
Base-Base interactions energy: -228.018
where: short stacking energy: -83.211
Base-Backbone interact. energy: -0.203
local terms energy: -98.039041
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -24.944
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: 3
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -308.646683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.646683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.646683 (E_RNA)
where:
Base-Base interactions energy: -225.231
where: short stacking energy: -82.332
Base-Backbone interact. energy: -0.089
local terms energy: -83.326310
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -191.287237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.287237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.287237 (E_RNA)
where:
Base-Base interactions energy: -123.509
where: short stacking energy: -39.256
Base-Backbone interact. energy: -0.484
local terms energy: -67.293574
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -9.252
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -117.403683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.403683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.403683 (E_RNA)
where:
Base-Base interactions energy: -61.283
where: short stacking energy: -30.231
Base-Backbone interact. energy: -0.491
local terms energy: -55.630041
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -356.805253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.805253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.805253 (E_RNA)
where:
Base-Base interactions energy: -247.738
where: short stacking energy: -100.846
Base-Backbone interact. energy: -0.082
local terms energy: -108.984909
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -28.685
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: 2, replica: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -355.608387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.608387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.608387 (E_RNA)
where:
Base-Base interactions energy: -248.504
where: short stacking energy: -93.894
Base-Backbone interact. energy: -0.172
local terms energy: -106.931557
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -23.471
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -25.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -350.728175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.728175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.728175 (E_RNA)
where:
Base-Base interactions energy: -258.485
where: short stacking energy: -91.854
Base-Backbone interact. energy: 0.407
local terms energy: -92.650158
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -21.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -338.353955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.353955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.353955 (E_RNA)
where:
Base-Base interactions energy: -248.493
where: short stacking energy: -96.450
Base-Backbone interact. energy: -0.191
local terms energy: -89.670013
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -18.655
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -329.167875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.167875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.167875 (E_RNA)
where:
Base-Base interactions energy: -242.278
where: short stacking energy: -88.126
Base-Backbone interact. energy: -0.197
local terms energy: -86.692156
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -23.888
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: 498
Temperature: 1.150000
Total energy: -321.310996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.310996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.310996 (E_RNA)
where:
Base-Base interactions energy: -224.734
where: short stacking energy: -93.644
Base-Backbone interact. energy: -0.441
local terms energy: -96.136026
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -25.437
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: 7
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -317.806043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.806043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.806043 (E_RNA)
where:
Base-Base interactions energy: -224.871
where: short stacking energy: -81.574
Base-Backbone interact. energy: 0.890
local terms energy: -93.824894
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -314.309754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.309754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.309754 (E_RNA)
where:
Base-Base interactions energy: -219.057
where: short stacking energy: -86.067
Base-Backbone interact. energy: -0.108
local terms energy: -95.144301
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -23.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -177.018746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.018746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.018746 (E_RNA)
where:
Base-Base interactions energy: -98.292
where: short stacking energy: -46.824
Base-Backbone interact. energy: -1.052
local terms energy: -77.675382
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -8.083
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: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -110.432519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.432519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.432519 (E_RNA)
where:
Base-Base interactions energy: -54.985
where: short stacking energy: -46.361
Base-Backbone interact. energy: -0.052
local terms energy: -55.395296
where:
bonds (distance) C4'-P energy: -9.608
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -351.369027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.369027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.369027 (E_RNA)
where:
Base-Base interactions energy: -251.852
where: short stacking energy: -103.881
Base-Backbone interact. energy: -0.041
local terms energy: -99.475563
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -26.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -349.853433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.853433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.853433 (E_RNA)
where:
Base-Base interactions energy: -247.428
where: short stacking energy: -95.807
Base-Backbone interact. energy: -0.079
local terms energy: -102.345631
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -22.449
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -23.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -344.889259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.889259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.889259 (E_RNA)
where:
Base-Base interactions energy: -241.984
where: short stacking energy: -105.528
Base-Backbone interact. energy: -0.005
local terms energy: -102.901097
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: -26.539
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: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -337.212458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.212458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.212458 (E_RNA)
where:
Base-Base interactions energy: -241.855
where: short stacking energy: -97.223
Base-Backbone interact. energy: -0.354
local terms energy: -95.003838
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -25.385
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: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -333.772688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.772688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.772688 (E_RNA)
where:
Base-Base interactions energy: -237.976
where: short stacking energy: -90.864
Base-Backbone interact. energy: -0.813
local terms energy: -94.984092
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -18.238
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -313.506384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.506384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.506384 (E_RNA)
where:
Base-Base interactions energy: -224.028
where: short stacking energy: -91.000
Base-Backbone interact. energy: -0.047
local terms energy: -89.432037
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -323.444140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.444140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.444140 (E_RNA)
where:
Base-Base interactions energy: -235.397
where: short stacking energy: -88.226
Base-Backbone interact. energy: 0.867
local terms energy: -88.913931
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -23.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -315.166411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.166411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.166411 (E_RNA)
where:
Base-Base interactions energy: -224.300
where: short stacking energy: -87.913
Base-Backbone interact. energy: -0.288
local terms energy: -90.578907
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -21.423
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: 499
Temperature: 1.300000
Total energy: -187.352137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.352137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.352137 (E_RNA)
where:
Base-Base interactions energy: -119.783
where: short stacking energy: -47.105
Base-Backbone interact. energy: -0.971
local terms energy: -66.599063
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -106.596763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.596763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.596763 (E_RNA)
where:
Base-Base interactions energy: -46.348
where: short stacking energy: -45.612
Base-Backbone interact. energy: -0.301
local terms energy: -59.948621
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -9.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -358.201922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.201922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.201922 (E_RNA)
where:
Base-Base interactions energy: -255.242
where: short stacking energy: -94.120
Base-Backbone interact. energy: -0.431
local terms energy: -102.528598
where:
bonds (distance) C4'-P energy: -22.692
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -25.816
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: 10
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -344.890349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.890349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.890349 (E_RNA)
where:
Base-Base interactions energy: -246.118
where: short stacking energy: -98.326
Base-Backbone interact. energy: -0.126
local terms energy: -98.646865
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: -23.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -343.998025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.998025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.998025 (E_RNA)
where:
Base-Base interactions energy: -238.843
where: short stacking energy: -101.967
Base-Backbone interact. energy: -0.001
local terms energy: -105.154148
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -20.841
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -27.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -354.893805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.893805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.893805 (E_RNA)
where:
Base-Base interactions energy: -249.780
where: short stacking energy: -96.136
Base-Backbone interact. energy: -0.056
local terms energy: -105.058115
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -24.188
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -355.007644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.007644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.007644 (E_RNA)
where:
Base-Base interactions energy: -260.693
where: short stacking energy: -91.217
Base-Backbone interact. energy: -0.740
local terms energy: -93.574797
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -332.120658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.120658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.120658 (E_RNA)
where:
Base-Base interactions energy: -237.308
where: short stacking energy: -84.655
Base-Backbone interact. energy: 2.451
local terms energy: -97.263410
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -320.688727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.688727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.688727 (E_RNA)
where:
Base-Base interactions energy: -228.178
where: short stacking energy: -90.861
Base-Backbone interact. energy: -0.170
local terms energy: -92.340925
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -20.150
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: 2
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -317.294840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.294840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.294840 (E_RNA)
where:
Base-Base interactions energy: -229.077
where: short stacking energy: -94.131
Base-Backbone interact. energy: -0.038
local terms energy: -88.179512
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -188.297536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.297536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.297536 (E_RNA)
where:
Base-Base interactions energy: -121.527
where: short stacking energy: -61.467
Base-Backbone interact. energy: -0.125
local terms energy: -66.645445
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -10.840
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: 9
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -187.714280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.714280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.714280 (E_RNA)
where:
Base-Base interactions energy: -112.807
where: short stacking energy: -54.368
Base-Backbone interact. energy: 0.070
local terms energy: -74.976912
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -20.940
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/1arj-85ff50bc_01
DONE
DONE
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DONE
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DONE
DONE
==================================
temp. level: 1, replica: 1
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -360.295304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.295304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.295304 (E_RNA)
where:
Base-Base interactions energy: -256.917
where: short stacking energy: -103.602
Base-Backbone interact. energy: -0.088
local terms energy: -103.289944
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -26.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -349.280756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.280756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.280756 (E_RNA)
where:
Base-Base interactions energy: -250.315
where: short stacking energy: -96.786
Base-Backbone interact. energy: -0.401
local terms energy: -98.565285
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -22.539
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: 501
Temperature: 1.000000
Total energy: -332.205169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.205169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.205169 (E_RNA)
where:
Base-Base interactions energy: -235.806
where: short stacking energy: -103.147
Base-Backbone interact. energy: -0.019
local terms energy: -96.380376
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -27.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -333.431033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.431033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.431033 (E_RNA)
where:
Base-Base interactions energy: -251.072
where: short stacking energy: -86.328
Base-Backbone interact. energy: -0.308
local terms energy: -82.051335
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -345.460904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.460904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.460904 (E_RNA)
where:
Base-Base interactions energy: -250.531
where: short stacking energy: -95.461
Base-Backbone interact. energy: -0.176
local terms energy: -94.754041
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -18.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -326.109515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.109515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.109515 (E_RNA)
where:
Base-Base interactions energy: -236.160
where: short stacking energy: -86.763
Base-Backbone interact. energy: -0.466
local terms energy: -89.483577
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -321.278269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.278269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.278269 (E_RNA)
where:
Base-Base interactions energy: -221.468
where: short stacking energy: -84.124
Base-Backbone interact. energy: -0.579
local terms energy: -99.231184
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -27.871
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: 8, replica: 2
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -302.853676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.853676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.853676 (E_RNA)
where:
Base-Base interactions energy: -217.034
where: short stacking energy: -90.850
Base-Backbone interact. energy: -0.279
local terms energy: -85.540125
where:
bonds (distance) C4'-P energy: -9.077
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -25.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -222.546806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.546806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.546806 (E_RNA)
where:
Base-Base interactions energy: -153.985
where: short stacking energy: -63.278
Base-Backbone interact. energy: 0.092
local terms energy: -68.653559
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -8.011
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: 10, replica: 9
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -177.117467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.117467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.117467 (E_RNA)
where:
Base-Base interactions energy: -110.207
where: short stacking energy: -55.201
Base-Backbone interact. energy: -1.211
local terms energy: -65.699238
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 15746460
moves confirmed later: 17488356
all moves confirmed: 33234816
percent of confirmed moves: 4.154352
current total energy: -292.836408
recalc. total energy: -292.836408
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 13283250
moves confirmed later: 14578579
all moves confirmed: 27861829
percent of confirmed moves: 3.482729
current total energy: -322.276985
recalc. total energy: -322.276985
replica 6 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 23831503
moves confirmed later: 28333322
all moves confirmed: 52164825
percent of confirmed moves: 6.520603
current total energy: -288.704270
recalc. total energy: -288.704270
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 14248382
moves confirmed later: 15816278
all moves confirmed: 30064660
percent of confirmed moves: 3.758082
current total energy: -296.842263
recalc. total energy: -296.842263
replica 4 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 15966473
moves confirmed later: 18161999
all moves confirmed: 34128472
percent of confirmed moves: 4.266059
current total energy: -284.962041
recalc. total energy: -284.962041
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 25421770
moves confirmed later: 30447305
all moves confirmed: 55869075
percent of confirmed moves: 6.983634
current total energy: -275.087781
recalc. total energy: -275.087781
replica 3 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 22943590
moves confirmed later: 27129264
all moves confirmed: 50072854
percent of confirmed moves: 6.259107
current total energy: -288.695910
recalc. total energy: -288.695910
replica 2 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 14313179
moves confirmed later: 15671264
all moves confirmed: 29984443
percent of confirmed moves: 3.748055
current total energy: -232.158518
recalc. total energy: -232.158518
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 27507061
moves confirmed later: 33063450
all moves confirmed: 60570511
percent of confirmed moves: 7.571314
current total energy: -150.879573
recalc. total energy: -150.879573
replica 8 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 32038528
moves confirmed later: 39014885
all moves confirmed: 71053413
percent of confirmed moves: 8.881677
current total energy: -113.158153
recalc. total energy: -113.158153
Time of doing 8000000 iterations: 4015.950 seconds